N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C14H29N3O2S — CID 43598196

IUPACN-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(N)CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-12-8-13(2)10-17(9-12)20(18,19)16-11-14(15)6-4-3-5-7-14/h12-13,16H,3-11,15H2,1-2H3
InChIKeyNIQPZUUYABMIIO-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.46
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43598196) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43598196
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(N)CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-12-8-13(2)10-17(9-12)20(18,19)16-11-14(15)6-4-3-5-7-14/h12-13,16H,3-11,15H2,1-2H3
InChIKeyNIQPZUUYABMIIO-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide 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

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide
CID 86922602
N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide
CID 114810921
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
N-[(1-piperazin-1-ylcyclohexyl)methyl]methanesulfonamide
CID 59088740
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide
CID 59088747
4-(3-Aminopropyl)piperidine-1-sulfonamide
CID 69121315
4-[2-[Cyclohexylsulfamoyl(methyl)amino]ethyl]piperidine
CID 70551613
4-[2-[[Cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperidine
CID 70585175
2-methyl-N-[3-(1-methylsulfonylpiperidin-3-yl)propyl]propan-2-amine
CID 79622122

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 43598196) is N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC2(N)CCCCC2)C1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is NIQPZUUYABMIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-8-13(2)10-17(9-12)20(18,19)16-11-14(15)6-4-3-5-7-14/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43598196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).