(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C14H20N2O2S — CID 2536164

IUPAC(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C14H20N2O2S/c1-10(2)9-15-13(17)11-5-3-7-16(11)14(18)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyJHNCRJRTXFPARN-NSHDSACASA-N
MW280.39 g/mol
LogP2.12
Rot. Bonds4

About (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2536164) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2536164
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C14H20N2O2S/c1-10(2)9-15-13(17)11-5-3-7-16(11)14(18)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyJHNCRJRTXFPARN-NSHDSACASA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2536164) is (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CC(C)CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JHNCRJRTXFPARN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)9-15-13(17)11-5-3-7-16(11)14(18)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2536164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).