(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane

C54H98N8O5S5 — CID 158347398

IUPAC(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane
SMILESC[C@H](C(=O)N1CCCC1)C1CC1.C[C@H](C(=O)O)C1CC1.C[C@H](CN1CCCC1)C1CC1.Cc1nc(-c2ccc(C(=O)N[C@H](CN3CCCC3)C3CC3)cc2)no1.N[C@H](CN1CCCC1)C1CC1.S.S.S.S.S
InChIInChI=1S/C19H24N4O2.C10H17NO.C10H19N.C9H18N2.C6H10O2.5H2S/c1-13-20-18(22-25-13)15-6-8-16(9-7-15)19(24)21-17(14-4-5-14)12-23-10-2-3-11-23;1-8(9-4-5-9)10(12)11-6-2-3-7-11;1-9(10-4-5-10)8-11-6-2-3-7-11;10-9(8-3-4-8)7-11-5-1-2-6-11;1-4(6(7)8)5-2-3-5;;;;;/h6-9,14,17H,2-5,10-12H2,1H3,(H,21,24);8-9H,2-7H2,1H3;9-10H,2-8H2,1H3;8-9H,1-7,10H2;4-5H,2-3H2,1H3,(H,7,8);5*1H2/t17-;8-;2*9-;4-;;;;;/m10110...../s1
InChIKeyGRXATLXXRRIIBU-BBZWIMATSA-N
MW1099.76 g/mol
LogP8.93
Rot. Bonds16

About (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane

(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane (PubChem CID 158347398) has the molecular formula C54H98N8O5S5 and a molecular weight of 1099.76 g/mol. Its IUPAC name is (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane.

Molecular Properties

Compound Name(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane
PubChem CID158347398
Molecular FormulaC54H98N8O5S5
Molecular Weight1099.76 g/mol
Exact Mass1098.63
IUPAC Name(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane
SMILESC[C@H](C(=O)N1CCCC1)C1CC1.C[C@H](C(=O)O)C1CC1.C[C@H](CN1CCCC1)C1CC1.Cc1nc(-c2ccc(C(=O)N[C@H](CN3CCCC3)C3CC3)cc2)no1.N[C@H](CN1CCCC1)C1CC1.S.S.S.S.S
InChIInChI=1S/C19H24N4O2.C10H17NO.C10H19N.C9H18N2.C6H10O2.5H2S/c1-13-20-18(22-25-13)15-6-8-16(9-7-15)19(24)21-17(14-4-5-14)12-23-10-2-3-11-23;1-8(9-4-5-9)10(12)11-6-2-3-7-11;1-9(10-4-5-10)8-11-6-2-3-7-11;10-9(8-3-4-8)7-11-5-1-2-6-11;1-4(6(7)8)5-2-3-5;;;;;/h6-9,14,17H,2-5,10-12H2,1H3,(H,21,24);8-9H,2-7H2,1H3;9-10H,2-8H2,1H3;8-9H,1-7,10H2;4-5H,2-3H2,1H3,(H,7,8);5*1H2/t17-;8-;2*9-;4-;;;;;/m10110...../s1
InChIKeyGRXATLXXRRIIBU-BBZWIMATSA-N
XLogP8.93
TPSA161.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.76
LogP ≤ 58.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
CID 90164454
N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 122675692
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171631075
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884
tert-butyl 4-[1-[3-[4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]phenyl]-1,2,4-oxadiazol-5-yl]propyl]piperidine-1-carboxylate
CID 67702627
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 18540089
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 90164466
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane?
The IUPAC name of (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane (CID 158347398) is (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane.
What is the SMILES notation for (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane?
The canonical SMILES for (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane is C[C@H](C(=O)N1CCCC1)C1CC1.C[C@H](C(=O)O)C1CC1.C[C@H](CN1CCCC1)C1CC1.Cc1nc(-c2ccc(C(=O)N[C@H](CN3CCCC3)C3CC3)cc2)no1.N[C@H](CN1CCCC1)C1CC1.S.S.S.S.S.
What is the InChIKey of (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane?
The InChIKey is GRXATLXXRRIIBU-BBZWIMATSA-N. The full InChI is InChI=1S/C19H24N4O2.C10H17NO.C10H19N.C9H18N2.C6H10O2.5H2S/c1-13-20-18(22-25-13)15-6-8-16(9-7-15)19(24)21-17(14-4-5-14)12-23-10-2-3-11-23;1-8(9-4-5-9)10(12)11-6-2-3-7-11;1-9(10-4-5-10)8-11-6-2-3-7-11;10-9(8-3-4-8)7-11-5-1-2-6-11;1-4(6(7)8)5-2-3-5;;;;;/h6-9,14,17H,2-5,10-12H2,1H3,(H,21,24);8-9H,2-7H2,1H3;9-10H,2-8H2,1H3;8-9H,1-7,10H2;4-5H,2-3H2,1H3,(H,7,8);5*1H2/t17-;8-;2*9-;4-;;;;;/m10110...../s1.
What are the key properties of (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane?
(2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane has a molecular weight of 1099.76 g/mol, XLogP of 8.93, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropylpropanoic acid;1-[(2S)-2-cyclopropylpropyl]pyrrolidine;(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethanamine;N-[(1S)-1-cyclopropyl-2-pyrrolidin-1-ylethyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;(2S)-2-cyclopropyl-1-pyrrolidin-1-ylpropan-1-one;sulfane is sourced from PubChem (CID 158347398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).