N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide

C12H24N2O3S — CID 61408756

IUPACN-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C12H24N2O3S/c1-13(11-6-3-2-4-7-11)18(16,17)14-9-5-8-12(14)10-15/h11-12,15H,2-10H2,1H3
InChIKeyBXEHGQQSFRUKLA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.95
Rot. Bonds4

About N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide

N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 61408756) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID61408756
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC1CO
InChIInChI=1S/C12H24N2O3S/c1-13(11-6-3-2-4-7-11)18(16,17)14-9-5-8-12(14)10-15/h11-12,15H,2-10H2,1H3
InChIKeyBXEHGQQSFRUKLA-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119969104
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
N-cyclohexyl-2-cyclopentyl-N-methylpyrrolidine-1-sulfonamide
CID 71889779
(4aS,8aR)-N-cycloheptyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 100901387
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 43423586
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 112667005
2-(3-hydroxypropyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62468298
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 127864106
methyl 3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 103834182
2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
CID 82745526

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide (CID 61408756) is N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCCC1CO.
What is the InChIKey of N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is BXEHGQQSFRUKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-13(11-6-3-2-4-7-11)18(16,17)14-9-5-8-12(14)10-15/h11-12,15H,2-10H2,1H3.
What are the key properties of N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 61408756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).