N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide

C15H28N2O3S — CID 84590044

IUPACN-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)CCN1CCCC1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-21(19,20)11-10-17-9-5-8-14(17)15(18)16-12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyHBTREJNWLDSWRQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.19
Rot. Bonds6

About N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide

N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide (PubChem CID 84590044) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
PubChem CID84590044
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)CCN1CCCC1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-21(19,20)11-10-17-9-5-8-14(17)15(18)16-12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyHBTREJNWLDSWRQ-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909089
methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 100681162
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
tert-butyl (2S)-1-(3-methylsulfonylpropyl)pyrrolidine-2-carboxylate
CID 81002807
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 96569146
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 103280167
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide (CID 84590044) is N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)CCN1CCCC1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide?
The InChIKey is HBTREJNWLDSWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-21(19,20)11-10-17-9-5-8-14(17)15(18)16-12-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide?
N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 84590044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).