[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride

C13H28ClN3O2S — CID 119985441

IUPAC[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-16(12-7-3-2-4-8-12)19(17,18)15-13-9-5-6-11(13)10-14;/h11-13,15H,2-10,14H2,1H3;1H
InChIKeyYJNUCBZKYBTNMK-UHFFFAOYSA-N
MW325.91 g/mol
LogP1.63
Rot. Bonds5

About [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride

[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride (PubChem CID 119985441) has the molecular formula C13H28ClN3O2S and a molecular weight of 325.91 g/mol. Its IUPAC name is [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride.

Molecular Properties

Compound Name[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
PubChem CID119985441
Molecular FormulaC13H28ClN3O2S
Molecular Weight325.91 g/mol
Exact Mass325.16
IUPAC Name[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-16(12-7-3-2-4-8-12)19(17,18)15-13-9-5-6-11(13)10-14;/h11-13,15H,2-10,14H2,1H3;1H
InChIKeyYJNUCBZKYBTNMK-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
CID 119986092
1-(aminomethyl)-2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclopentane
CID 119985466
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 62955693
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
CID 115752499
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072

Frequently Asked Questions

What is the IUPAC name of [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride?
The IUPAC name of [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride (CID 119985441) is [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride.
What is the SMILES notation for [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride?
The canonical SMILES for [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride is CN(C1CCCCC1)S(=O)(=O)NC1CCCC1CN.Cl.
What is the InChIKey of [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride?
The InChIKey is YJNUCBZKYBTNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S.ClH/c1-16(12-7-3-2-4-8-12)19(17,18)15-13-9-5-6-11(13)10-14;/h11-13,15H,2-10,14H2,1H3;1H.
What are the key properties of [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride?
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride is sourced from PubChem (CID 119985441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).