1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide

C11H22N2O3S — CID 134050674

IUPAC1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
SMILESCCC(CC)NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-4-9(5-2)12-11(14)10-7-6-8-13(10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyAHMQDNQQJIXQPU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.72
Rot. Bonds5

About 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide

1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide (PubChem CID 134050674) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
PubChem CID134050674
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
SMILESCCC(CC)NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-4-9(5-2)12-11(14)10-7-6-8-13(10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyAHMQDNQQJIXQPU-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
CID 154860289
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256
tert-butyl (2R)-2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoate
CID 81000032
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
ethane;ethanone;(2S)-2-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]butanoic acid;yttrium
CID 159970550
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110280182

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide (CID 134050674) is 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide is CCC(CC)NC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide?
The InChIKey is AHMQDNQQJIXQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-9(5-2)12-11(14)10-7-6-8-13(10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide?
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134050674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).