(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

C14H20N6O4S — CID 91911132

IUPAC(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](C(=O)NC)[C@H](c3nc(C)no3)C2)cn1
InChIInChI=1S/C14H20N6O4S/c1-4-19-6-10(5-16-19)25(22,23)20-7-11(13(21)15-3)12(8-20)14-17-9(2)18-24-14/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,21)/t11-,12-/m1/s1
InChIKeyLVBDJKRDCBPKLQ-VXGBXAGGSA-N
MW368.42 g/mol
LogP-0.26
Rot. Bonds5

About (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide

(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 91911132) has the molecular formula C14H20N6O4S and a molecular weight of 368.42 g/mol. Its IUPAC name is (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID91911132
Molecular FormulaC14H20N6O4S
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](C(=O)NC)[C@H](c3nc(C)no3)C2)cn1
InChIInChI=1S/C14H20N6O4S/c1-4-19-6-10(5-16-19)25(22,23)20-7-11(13(21)15-3)12(8-20)14-17-9(2)18-24-14/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,21)/t11-,12-/m1/s1
InChIKeyLVBDJKRDCBPKLQ-VXGBXAGGSA-N
XLogP-0.26
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide (CID 91911132) is (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide is CCn1cc(S(=O)(=O)N2C[C@@H](C(=O)NC)[C@H](c3nc(C)no3)C2)cn1.
What is the InChIKey of (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is LVBDJKRDCBPKLQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N6O4S/c1-4-19-6-10(5-16-19)25(22,23)20-7-11(13(21)15-3)12(8-20)14-17-9(2)18-24-14/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,21)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).