N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide

C11H19N3O2S2 — CID 70748696

IUPACN-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(c2nccs2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C11H19N3O2S2/c1-8(2)9-6-14(11-12-4-5-17-11)7-10(9)13-18(3,15)16/h4-5,8-10,13H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyAMDRYXJQUCEXDP-VHSXEESVSA-N
MW289.43 g/mol
LogP1.15
Rot. Bonds4

About N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 70748696) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID70748696
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC NameN-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)[C@@H]1CN(c2nccs2)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C11H19N3O2S2/c1-8(2)9-6-14(11-12-4-5-17-11)7-10(9)13-18(3,15)16/h4-5,8-10,13H,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyAMDRYXJQUCEXDP-VHSXEESVSA-N
XLogP1.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 72873311
1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
CID 91623902
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 70740247
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 60916661
N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 70742820
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[6-methyl-4-(1,3-thiazol-2-yl)morpholin-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 70748696) is N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide is CC(C)[C@@H]1CN(c2nccs2)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is AMDRYXJQUCEXDP-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8(2)9-6-14(11-12-4-5-17-11)7-10(9)13-18(3,15)16/h4-5,8-10,13H,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70748696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).