N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide

C12H25N3O2S — CID 106995874

IUPACN-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
SMILESCC1CC(NS(=O)(=O)N2CCCCCC2)CCN1
InChIInChI=1S/C12H25N3O2S/c1-11-10-12(6-7-13-11)14-18(16,17)15-8-4-2-3-5-9-15/h11-14H,2-10H2,1H3
InChIKeyKZAUISZNMUETSZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.84
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide

N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide (PubChem CID 106995874) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
PubChem CID106995874
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
SMILESCC1CC(NS(=O)(=O)N2CCCCCC2)CCN1
InChIInChI=1S/C12H25N3O2S/c1-11-10-12(6-7-13-11)14-18(16,17)15-8-4-2-3-5-9-15/h11-14H,2-10H2,1H3
InChIKeyKZAUISZNMUETSZ-UHFFFAOYSA-N
XLogP0.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
CID 119966821
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63042575
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
N-(2-methylpiperidin-3-yl)piperidine-1-sulfonamide;hydrochloride
CID 120726603
N-(3-methylcyclopentyl)piperazine-1-sulfonamide
CID 114541483
N-(3-aminocyclobutyl)piperidine-1-sulfonamide
CID 43597759
N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 114810914
(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 104978207

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide (CID 106995874) is N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide is CC1CC(NS(=O)(=O)N2CCCCCC2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide?
The InChIKey is KZAUISZNMUETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-10-12(6-7-13-11)14-18(16,17)15-8-4-2-3-5-9-15/h11-14H,2-10H2,1H3.
What are the key properties of N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide?
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide is sourced from PubChem (CID 106995874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).