1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride

C11H26ClN3O2S — CID 119986092

IUPAC1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12;/h9-11,13H,4-8,12H2,1-3H3;1H
InChIKeyDROCGLQLTCDWTN-UHFFFAOYSA-N
MW299.87 g/mol
LogP1.10
Rot. Bonds5

About 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride

1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride (PubChem CID 119986092) has the molecular formula C11H26ClN3O2S and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
PubChem CID119986092
Molecular FormulaC11H26ClN3O2S
Molecular Weight299.87 g/mol
Exact Mass299.14
IUPAC Name1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C11H25N3O2S.ClH/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12;/h9-11,13H,4-8,12H2,1-3H3;1H
InChIKeyDROCGLQLTCDWTN-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 106367701
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
1-(aminomethyl)-2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclopentane
CID 119985466
1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 114297366
2-(aminomethyl)-N-(ethylsulfamoyl)cyclohexan-1-amine
CID 115752499
N-[2-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide;hydrochloride
CID 119986003
N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
CID 119985622
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119611051
N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 62955693
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride?
The IUPAC name of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride (CID 119986092) is 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride is CC(C)N(C)S(=O)(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride?
The InChIKey is DROCGLQLTCDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S.ClH/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12;/h9-11,13H,4-8,12H2,1-3H3;1H.
What are the key properties of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride?
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride has a molecular weight of 299.87 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane;hydrochloride is sourced from PubChem (CID 119986092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).