N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide

C13H27N3O2S — CID 43598187

IUPACN-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-12-7-3-6-10-16(12)19(17,18)15-11-13(14)8-4-2-5-9-13/h12,15H,2-11,14H2,1H3
InChIKeyLURZWUJZOBKUTG-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.36
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide

N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 43598187) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide
PubChem CID43598187
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C13H27N3O2S/c1-12-7-3-6-10-16(12)19(17,18)15-11-13(14)8-4-2-5-9-13/h12,15H,2-11,14H2,1H3
InChIKeyLURZWUJZOBKUTG-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide (CID 43598187) is N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is LURZWUJZOBKUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-7-3-6-10-16(12)19(17,18)15-11-13(14)8-4-2-5-9-13/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 1.36, 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]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43598187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).