4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine

C14H29N3O2S — CID 79121228

IUPAC4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCCCC1)S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C14H29N3O2S/c1-16(13-6-4-3-5-7-13)20(18,19)17(2)14-10-8-12(15)9-11-14/h12-14H,3-11,15H2,1-2H3
InChIKeySNGVMZYQWYCRPJ-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.70
Rot. Bonds4

About 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121228) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121228
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCCCC1)S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C14H29N3O2S/c1-16(13-6-4-3-5-7-13)20(18,19)17(2)14-10-8-12(15)9-11-14/h12-14H,3-11,15H2,1-2H3
InChIKeySNGVMZYQWYCRPJ-UHFFFAOYSA-N
XLogP1.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 79121069
N-[cyclohexyl(methyl)sulfamoyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119978613
N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 79121076
N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide
CID 82839682
N-methyl-N-(methylsulfonimidoyl)cyclohexanamine
CID 164644395
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 141217448
N-methyl-N-[methyl(piperidin-4-ylmethyl)sulfamoyl]cyclohexanamine
CID 79716658
N-cycloheptyl-N-methylpropane-2-sulfonamide
CID 61383845
2-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-1-ol
CID 113351311
1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
CID 83092714
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 79120752
3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798

Frequently Asked Questions

What is the IUPAC name of 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine (CID 79121228) is 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine is CN(C1CCCCC1)S(=O)(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is SNGVMZYQWYCRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-16(13-6-4-3-5-7-13)20(18,19)17(2)14-10-8-12(15)9-11-14/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 303.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[cyclohexyl(methyl)sulfamoyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).