3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide

C13H22N4O3S — CID 97062378

IUPAC3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@H]1c1noc(C2CC2)n1
InChIInChI=1S/C13H22N4O3S/c1-14-21(18,19)9-3-8-17-7-2-4-11(17)12-15-13(20-16-12)10-5-6-10/h10-11,14H,2-9H2,1H3/t11-/m0/s1
InChIKeyLFHHBNKVBCVTFR-NSHDSACASA-N
MW314.41 g/mol
LogP1.02
Rot. Bonds7

About 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide

3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide (PubChem CID 97062378) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
PubChem CID97062378
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN1CCC[C@H]1c1noc(C2CC2)n1
InChIInChI=1S/C13H22N4O3S/c1-14-21(18,19)9-3-8-17-7-2-4-11(17)12-15-13(20-16-12)10-5-6-10/h10-11,14H,2-9H2,1H3/t11-/m0/s1
InChIKeyLFHHBNKVBCVTFR-NSHDSACASA-N
XLogP1.02
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide (CID 97062378) is 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN1CCC[C@H]1c1noc(C2CC2)n1.
What is the InChIKey of 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide?
The InChIKey is LFHHBNKVBCVTFR-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-14-21(18,19)9-3-8-17-7-2-4-11(17)12-15-13(20-16-12)10-5-6-10/h10-11,14H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide?
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 97062378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).