(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine

C9H23N3O2S — CID 89050450

IUPAC(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCN[C@H](CN(C)S(=O)(=O)N(C)C)C(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(2)9(10-3)7-12(6)15(13,14)11(4)5/h8-10H,7H2,1-6H3/t9-/m1/s1
InChIKeyWGUMPICPXRPWRM-SECBINFHSA-N
MW237.37 g/mol
LogP-0.03
Rot. Bonds6

About (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine

(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 89050450) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID89050450
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCN[C@H](CN(C)S(=O)(=O)N(C)C)C(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(2)9(10-3)7-12(6)15(13,14)11(4)5/h8-10H,7H2,1-6H3/t9-/m1/s1
InChIKeyWGUMPICPXRPWRM-SECBINFHSA-N
XLogP-0.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine (CID 89050450) is (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine is CN[C@H](CN(C)S(=O)(=O)N(C)C)C(C)C.
What is the InChIKey of (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is WGUMPICPXRPWRM-SECBINFHSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-8(2)9(10-3)7-12(6)15(13,14)11(4)5/h8-10H,7H2,1-6H3/t9-/m1/s1.
What are the key properties of (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine?
(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 89050450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).