N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide

C13H27N3O2S — CID 43598181

IUPACN-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(N)CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-12-5-9-16(10-6-12)19(17,18)15-11-13(14)7-3-2-4-8-13/h12,15H,2-11,14H2,1H3
InChIKeyQCCDDCAEXUKHIF-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.21
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide

N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 43598181) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
PubChem CID43598181
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(N)CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-12-5-9-16(10-6-12)19(17,18)15-11-13(14)7-3-2-4-8-13/h12,15H,2-11,14H2,1H3
InChIKeyQCCDDCAEXUKHIF-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 ≤ 500289.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide (CID 43598181) is N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC2(N)CCCCC2)CC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is QCCDDCAEXUKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-5-9-16(10-6-12)19(17,18)15-11-13(14)7-3-2-4-8-13/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 289.44 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-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43598181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).