N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide

C13H25N3O2S — CID 61230456

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C13H25N3O2S/c1-10-4-2-3-7-16(10)19(17,18)15-13-8-11-5-6-12(9-13)14-11/h10-15H,2-9H2,1H3
InChIKeyJHOACWWMEYUEML-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.98
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 61230456) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID61230456
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C13H25N3O2S/c1-10-4-2-3-7-16(10)19(17,18)15-13-8-11-5-6-12(9-13)14-11/h10-15H,2-9H2,1H3
InChIKeyJHOACWWMEYUEML-UHFFFAOYSA-N
XLogP0.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 104922367
2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071800
2-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)piperidine-1-sulfonamide
CID 43109899
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 119967715
2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64817232
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 65030729
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
CID 55682031

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide (CID 61230456) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is JHOACWWMEYUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-10-4-2-3-7-16(10)19(17,18)15-13-8-11-5-6-12(9-13)14-11/h10-15H,2-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 287.43 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61230456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).