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

C11H25N3O2S — CID 70870754

IUPAC(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(C)C[C@@H](N)C1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-13(2)17(15,16)14(3)9-11(12)10-7-5-4-6-8-10/h10-11H,4-9,12H2,1-3H3/t11-/m1/s1
InChIKeyCVDBVQVNVPNZJT-LLVKDONJSA-N
MW263.41 g/mol
LogP0.63
Rot. Bonds5

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

(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine (PubChem CID 70870754) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine
PubChem CID70870754
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(C)C[C@@H](N)C1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-13(2)17(15,16)14(3)9-11(12)10-7-5-4-6-8-10/h10-11H,4-9,12H2,1-3H3/t11-/m1/s1
InChIKeyCVDBVQVNVPNZJT-LLVKDONJSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.63
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'-methylethane-1,2-diamine?
The IUPAC name of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine (CID 70870754) is (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine is CN(C)S(=O)(=O)N(C)C[C@@H](N)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine?
The InChIKey is CVDBVQVNVPNZJT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-13(2)17(15,16)14(3)9-11(12)10-7-5-4-6-8-10/h10-11H,4-9,12H2,1-3H3/t11-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine?
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine has a molecular weight of 263.41 g/mol, XLogP of 0.63, 5 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'-methylethane-1,2-diamine is sourced from PubChem (CID 70870754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).