N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C12H27N3O2S — CID 54952098

IUPACN'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-14(10-6-9-13)18(16,17)15(2)11-12-7-4-3-5-8-12/h12H,3-11,13H2,1-2H3
InChIKeyCQZZDNWBZQXOPJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.02
Rot. Bonds7

About N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 54952098) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID54952098
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-14(10-6-9-13)18(16,17)15(2)11-12-7-4-3-5-8-12/h12H,3-11,13H2,1-2H3
InChIKeyCQZZDNWBZQXOPJ-UHFFFAOYSA-N
XLogP1.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(Aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114810978
N-(3-cyclohexylpropyl)azepane-1-sulfonamide
CID 71896285
N-(cyclohexylmethyl)aminosulfonamide
CID 17894196
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
[4-(Aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
CID 18324777
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
(Dimethylsulfamoylamino)methylcyclohexane
CID 35292128
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317

Frequently Asked Questions

What is the IUPAC name of N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 54952098) is N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CN(CCCN)S(=O)(=O)N(C)CC1CCCCC1.
What is the InChIKey of N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is CQZZDNWBZQXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-14(10-6-9-13)18(16,17)15(2)11-12-7-4-3-5-8-12/h12H,3-11,13H2,1-2H3.
What are the key properties of N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 277.43 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclohexylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54952098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).