N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide

C16H22N2O2S — CID 26319257

IUPACN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1
InChIInChI=1S/C16H22N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h6-7,11-12,14H,1-5,8-10H2,(H,17,20)/t14-/m0/s1
InChIKeyAYDWCZNITOSPIZ-AWEZNQCLSA-N
MW306.43 g/mol
LogP2.66
Rot. Bonds4

About N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 26319257) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID26319257
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1
InChIInChI=1S/C16H22N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h6-7,11-12,14H,1-5,8-10H2,(H,17,20)/t14-/m0/s1
InChIKeyAYDWCZNITOSPIZ-AWEZNQCLSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (CID 26319257) is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccsc1.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is AYDWCZNITOSPIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15-8-14(17-16(20)13-6-7-21-11-13)10-18(15)9-12-4-2-1-3-5-12/h6-7,11-12,14H,1-5,8-10H2,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 26319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).