(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide

C11H22N2OS — CID 103954955

IUPAC(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(CSC)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H22N2OS/c1-4-9(8-15-3)13(2)11(14)10-6-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyAVLKSMDROHANSN-AXDSSHIGSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds5

About (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide

(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 103954955) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID103954955
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(CSC)N(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H22N2OS/c1-4-9(8-15-3)13(2)11(14)10-6-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyAVLKSMDROHANSN-AXDSSHIGSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-dimethylpyrrolidine-2-carboxamide
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(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
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(2R)-N,N-diethylpyrrolidine-2-carboxamide
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(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
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(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
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(2S)-N,N-dimethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 143692131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide (CID 103954955) is (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide is CCC(CSC)N(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is AVLKSMDROHANSN-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-9(8-15-3)13(2)11(14)10-6-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103954955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).