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

C9H23N3O2S — CID 58821412

IUPAC(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(C)C[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-9(2,3)8(10)7-12(6)15(13,14)11(4)5/h8H,7,10H2,1-6H3/t8-/m1/s1
InChIKeyQSNKFKDYNFXRKD-MRVPVSSYSA-N
MW237.37 g/mol
LogP0.10
Rot. Bonds4

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

(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine (PubChem CID 58821412) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
PubChem CID58821412
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(C)C[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-9(2,3)8(10)7-12(6)15(13,14)11(4)5/h8H,7,10H2,1-6H3/t8-/m1/s1
InChIKeyQSNKFKDYNFXRKD-MRVPVSSYSA-N
XLogP0.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.10
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,3,3-trimethylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine (CID 58821412) is (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine is CN(C)S(=O)(=O)N(C)C[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine?
The InChIKey is QSNKFKDYNFXRKD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-9(2,3)8(10)7-12(6)15(13,14)11(4)5/h8H,7,10H2,1-6H3/t8-/m1/s1.
What are the key properties of (2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine?
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.10, 4 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,3,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 58821412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).