N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide

C12H26N2O2S — CID 119985622

IUPACN-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)CS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C12H26N2O2S/c1-3-10(4-2)9-17(15,16)14-12-7-5-6-11(12)8-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyAYXWKZRGNPBOTK-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide

N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide (PubChem CID 119985622) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
PubChem CID119985622
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)CS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C12H26N2O2S/c1-3-10(4-2)9-17(15,16)14-12-7-5-6-11(12)8-13/h10-12,14H,3-9,13H2,1-2H3
InChIKeyAYXWKZRGNPBOTK-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 62955693
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
CID 115752499
N-(4-aminocyclohexyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119970647
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
CID 119986092
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
1-(aminomethyl)-2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclopentane
CID 119985466
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
N-[2-(aminomethyl)cyclopentyl]-3-ethylheptanamide;hydrochloride
CID 119602350
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
CID 119985769
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide (CID 119985622) is N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide is CCC(CC)CS(=O)(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide?
The InChIKey is AYXWKZRGNPBOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-10(4-2)9-17(15,16)14-12-7-5-6-11(12)8-13/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide is sourced from PubChem (CID 119985622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).