(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide

C11H20N2OS — CID 103797263

IUPAC(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide
SMILESCSC1CCCC1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2OS/c1-15-10-6-2-4-8(10)13-11(14)9-5-3-7-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8?,9-,10?/m1/s1
InChIKeyCKPLXLZLFQOTLV-HWOCKDDLSA-N
MW228.36 g/mol
LogP1.14
Rot. Bonds3

About (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide

(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide (PubChem CID 103797263) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide
PubChem CID103797263
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide
SMILESCSC1CCCC1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2OS/c1-15-10-6-2-4-8(10)13-11(14)9-5-3-7-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8?,9-,10?/m1/s1
InChIKeyCKPLXLZLFQOTLV-HWOCKDDLSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide (CID 103797263) is (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide is CSC1CCCC1NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide?
The InChIKey is CKPLXLZLFQOTLV-HWOCKDDLSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-15-10-6-2-4-8(10)13-11(14)9-5-3-7-12-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8?,9-,10?/m1/s1.
What are the key properties of (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103797263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).