N-(2-aminocycloheptyl)butane-1-sulfonamide

C11H24N2O2S — CID 63258980

IUPACN-(2-aminocycloheptyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCCCC1N
InChIInChI=1S/C11H24N2O2S/c1-2-3-9-16(14,15)13-11-8-6-4-5-7-10(11)12/h10-11,13H,2-9,12H2,1H3
InChIKeyWOSZFCQPCJVOAN-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.37
Rot. Bonds5

About N-(2-aminocycloheptyl)butane-1-sulfonamide

N-(2-aminocycloheptyl)butane-1-sulfonamide (PubChem CID 63258980) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)butane-1-sulfonamide
PubChem CID63258980
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(2-aminocycloheptyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCCCC1N
InChIInChI=1S/C11H24N2O2S/c1-2-3-9-16(14,15)13-11-8-6-4-5-7-10(11)12/h10-11,13H,2-9,12H2,1H3
InChIKeyWOSZFCQPCJVOAN-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide
CID 59537766
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 43711222
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
N-(4-chloro-1,1-dioxothiolan-3-yl)butane-1-sulfonamide
CID 115339043

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)butane-1-sulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)butane-1-sulfonamide (CID 63258980) is N-(2-aminocycloheptyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)butane-1-sulfonamide?
The InChIKey is WOSZFCQPCJVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-2-3-9-16(14,15)13-11-8-6-4-5-7-10(11)12/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N-(2-aminocycloheptyl)butane-1-sulfonamide?
N-(2-aminocycloheptyl)butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)butane-1-sulfonamide is sourced from PubChem (CID 63258980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).