(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

C16H22N2O2S — CID 94221439

IUPAC(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)N1
InChIInChI=1S/C16H22N2O2S/c19-14-7-6-12(18-14)15(20)17-11-16(8-2-1-3-9-16)13-5-4-10-21-13/h4-5,10,12H,1-3,6-9,11H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyBBZQDNBMLJUPGE-LBPRGKRZSA-N
MW306.43 g/mol
LogP2.34
Rot. Bonds4

About (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 94221439) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID94221439
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)N1
InChIInChI=1S/C16H22N2O2S/c19-14-7-6-12(18-14)15(20)17-11-16(8-2-1-3-9-16)13-5-4-10-21-13/h4-5,10,12H,1-3,6-9,11H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyBBZQDNBMLJUPGE-LBPRGKRZSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 94221439) is (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)N1.
What is the InChIKey of (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BBZQDNBMLJUPGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-14-7-6-12(18-14)15(20)17-11-16(8-2-1-3-9-16)13-5-4-10-21-13/h4-5,10,12H,1-3,6-9,11H2,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94221439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).