N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide

C13H26N2O2S — CID 62955693

IUPACN-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
SMILESNCC1CCCC1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c14-9-12-7-4-8-13(12)15-18(16,17)10-11-5-2-1-3-6-11/h11-13,15H,1-10,14H2
InChIKeyABLUSIXYHWGCSH-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide

N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide (PubChem CID 62955693) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
PubChem CID62955693
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
SMILESNCC1CCCC1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c14-9-12-7-4-8-13(12)15-18(16,17)10-11-5-2-1-3-6-11/h11-13,15H,1-10,14H2
InChIKeyABLUSIXYHWGCSH-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide
CID 114297347
N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
CID 119985622
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
CID 115752499
1-(aminomethyl)-2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclopentane
CID 119985466
N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119986199
2-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64989052
N-[(2-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 64929835

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide (CID 62955693) is N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide is NCC1CCCC1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is ABLUSIXYHWGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c14-9-12-7-4-8-13(12)15-18(16,17)10-11-5-2-1-3-6-11/h11-13,15H,1-10,14H2.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 62955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).