N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide

C13H27N3O2S — CID 28940702

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-12-5-7-13(11-14,8-6-12)15-19(17,18)16-9-3-2-4-10-16/h12,15H,2-11,14H2,1H3
InChIKeyGICXKJVRAPCWPD-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.21
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide (PubChem CID 28940702) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
PubChem CID28940702
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-12-5-7-13(11-14,8-6-12)15-19(17,18)16-9-3-2-4-10-16/h12,15H,2-11,14H2,1H3
InChIKeyGICXKJVRAPCWPD-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
4-[Cyclohexylmethyl(sulfamoyl)amino]piperidine
CID 167049334
4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide
CID 170198339
N-(4-methylcyclohexyl)piperazine-1-sulfonamide
CID 28775832
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide
CID 28940480
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
N-[1-(aminomethyl)cyclopentyl]-4-methylpiperidine-1-sulfonamide
CID 28940516
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 28940686

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide (CID 28940702) is N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide is CC1CCC(CN)(NS(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide?
The InChIKey is GICXKJVRAPCWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-5-7-13(11-14,8-6-12)15-19(17,18)16-9-3-2-4-10-16/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide has a molecular weight of 289.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide is sourced from PubChem (CID 28940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).