N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide

C13H27N3O2S — CID 106126037

IUPACN-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2CCCC(N)C2)C1
InChIInChI=1S/C13H27N3O2S/c1-11-4-3-7-16(10-11)19(17,18)15-9-12-5-2-6-13(14)8-12/h11-13,15H,2-10,14H2,1H3
InChIKeyXGQJBROQLPGLAD-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.07
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide

N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 106126037) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
PubChem CID106126037
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2CCCC(N)C2)C1
InChIInChI=1S/C13H27N3O2S/c1-11-4-3-7-16(10-11)19(17,18)15-9-12-5-2-6-13(14)8-12/h11-13,15H,2-10,14H2,1H3
InChIKeyXGQJBROQLPGLAD-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106135059
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 114295452
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-[(3-aminocyclobutyl)methyl]piperidine-1-sulfonamide
CID 66005410
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide (CID 106126037) is N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC2CCCC(N)C2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is XGQJBROQLPGLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-4-3-7-16(10-11)19(17,18)15-9-12-5-2-6-13(14)8-12/h11-13,15H,2-10,14H2,1H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide?
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 289.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 106126037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).