(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide

C15H28N2O3S — CID 110285824

IUPAC(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-2-3-12-21(19,20)17-11-7-10-14(17)15(18)16-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyFQALHYOCNIOWEZ-AWEZNQCLSA-N
MW316.47 g/mol
LogP2.03
Rot. Bonds6

About (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide

(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide (PubChem CID 110285824) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
PubChem CID110285824
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-2-3-12-21(19,20)17-11-7-10-14(17)15(18)16-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyFQALHYOCNIOWEZ-AWEZNQCLSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677771
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119601319
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 115881676
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488511
N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 120599459
1-[[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544637
N-cyclohexyl-1-(cyclopentylsulfamoyl)pyrrolidine-2-carboxamide
CID 110625685
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide (CID 110285824) is (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide is CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The InChIKey is FQALHYOCNIOWEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-2-3-12-21(19,20)17-11-7-10-14(17)15(18)16-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).