N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide

C16H31N3O2S — CID 120714267

IUPACN-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H31N3O2S/c1-18(15-6-3-2-4-7-15)22(20,21)19-12-9-14(10-13-19)16-8-5-11-17-16/h14-17H,2-13H2,1H3
InChIKeyDUKDVBLYIBQTGJ-UHFFFAOYSA-N
MW329.51 g/mol
LogP1.96
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide

N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide (PubChem CID 120714267) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide
PubChem CID120714267
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC NameN-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H31N3O2S/c1-18(15-6-3-2-4-7-15)22(20,21)19-12-9-14(10-13-19)16-8-5-11-17-16/h14-17H,2-13H2,1H3
InChIKeyDUKDVBLYIBQTGJ-UHFFFAOYSA-N
XLogP1.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170
1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
CID 55232220
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
N-cyclohexyl-4-hydroxy-N,3-dimethylpiperidine-1-sulfonamide
CID 114680633
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798
N,N-dimethyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)propanamide
CID 63259226
2-cyclopentylpyrrolidine
CID 4031549
N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide
CID 128925390
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 63263786
N,N-dimethyl-2-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 63256640

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide (CID 120714267) is N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide?
The InChIKey is DUKDVBLYIBQTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-18(15-6-3-2-4-7-15)22(20,21)19-12-9-14(10-13-19)16-8-5-11-17-16/h14-17H,2-13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide has a molecular weight of 329.51 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 120714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).