2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine

C9H21N3O2S — CID 115752499

IUPAC2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
SMILESCCNS(=O)(=O)NC1CCCCC1CN
InChIInChI=1S/C9H21N3O2S/c1-2-11-15(13,14)12-9-6-4-3-5-8(9)7-10/h8-9,11-12H,2-7,10H2,1H3
InChIKeyUNOMKBDBKMGCQR-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds5

About 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine

2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine (PubChem CID 115752499) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
PubChem CID115752499
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
SMILESCCNS(=O)(=O)NC1CCCCC1CN
InChIInChI=1S/C9H21N3O2S/c1-2-11-15(13,14)12-9-6-4-3-5-8(9)7-10/h8-9,11-12H,2-7,10H2,1H3
InChIKeyUNOMKBDBKMGCQR-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
CID 119985622
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
CID 119986092
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 62955693
[2-(propylsulfamoylamino)cyclopentyl]methanol
CID 106364586
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
1-(aminomethyl)-2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclopentane
CID 119985466
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
CID 97056164
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698245
N-[2-(aminomethyl)cyclohexyl]-2-chloro-1-methylimidazole-4-sulfonamide
CID 126795291

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine (CID 115752499) is 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine is CCNS(=O)(=O)NC1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine?
The InChIKey is UNOMKBDBKMGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-11-15(13,14)12-9-6-4-3-5-8(9)7-10/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine?
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 115752499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).