2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine

C9H23N3O2S — CID 62010456

IUPAC2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine
SMILESCCN(C(C)(CC)CN)S(=O)(=O)N(C)C
InChIInChI=1S/C9H23N3O2S/c1-6-9(3,8-10)12(7-2)15(13,14)11(4)5/h6-8,10H2,1-5H3
InChIKeyRVYZBVUUKKZJKM-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.24
Rot. Bonds6

About 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine

2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine (PubChem CID 62010456) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine
PubChem CID62010456
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine
SMILESCCN(C(C)(CC)CN)S(=O)(=O)N(C)C
InChIInChI=1S/C9H23N3O2S/c1-6-9(3,8-10)12(7-2)15(13,14)11(4)5/h6-8,10H2,1-5H3
InChIKeyRVYZBVUUKKZJKM-UHFFFAOYSA-N
XLogP0.24
TPSA66.64 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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine (CID 62010456) is 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine is CCN(C(C)(CC)CN)S(=O)(=O)N(C)C.
What is the InChIKey of 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
The InChIKey is RVYZBVUUKKZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-6-9(3,8-10)12(7-2)15(13,14)11(4)5/h6-8,10H2,1-5H3.
What are the key properties of 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine?
2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 62010456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).