N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide

C13H27N3O2S — CID 79121076

IUPACN-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O2S/c1-11-5-3-4-10-16(11)19(17,18)15(2)13-8-6-12(14)7-9-13/h11-13H,3-10,14H2,1-2H3
InChIKeyNGMDAHSGMXYPLK-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.31
Rot. Bonds3

About N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide

N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide (PubChem CID 79121076) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
PubChem CID79121076
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O2S/c1-11-5-3-4-10-16(11)19(17,18)15(2)13-8-6-12(14)7-9-13/h11-13H,3-10,14H2,1-2H3
InChIKeyNGMDAHSGMXYPLK-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
N,2-dimethyl-N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 79123031
N,2-dimethyl-N-piperidin-4-ylpiperidine-1-sulfonamide
CID 43606996
N-(2-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 102639398
N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 110728214
4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121228
N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
CID 43136981
2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119969104
(2R)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301386
(2S)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301387
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide
CID 128925390

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide (CID 79121076) is N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide?
The InChIKey is NGMDAHSGMXYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-5-3-4-10-16(11)19(17,18)15(2)13-8-6-12(14)7-9-13/h11-13H,3-10,14H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide?
N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 79121076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).