(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine

C12H27N3O2S — CID 70891149

IUPAC(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN[C@H](CN(C)S(=O)(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-13-12(11-8-6-5-7-9-11)10-15(4)18(16,17)14(2)3/h11-13H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyFHTQQTVWFYTLQH-GFCCVEGCSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds6

About (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine

(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 70891149) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID70891149
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN[C@H](CN(C)S(=O)(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-13-12(11-8-6-5-7-9-11)10-15(4)18(16,17)14(2)3/h11-13H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyFHTQQTVWFYTLQH-GFCCVEGCSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine (CID 70891149) is (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine is CN[C@H](CN(C)S(=O)(=O)N(C)C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FHTQQTVWFYTLQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-13-12(11-8-6-5-7-9-11)10-15(4)18(16,17)14(2)3/h11-13H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine?
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 277.43 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 70891149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).