2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride

C14H34ClN3O2S — CID 119982466

IUPAC2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C14H33N3O2S.ClH/c1-12(2)7-9-17(10-8-13(3)4)20(18,19)16(6)14(5)11-15;/h12-14H,7-11,15H2,1-6H3;1H
InChIKeyVPJBHBXNHBYXKT-UHFFFAOYSA-N
MW343.97 g/mol
LogP2.33
Rot. Bonds10

About 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride

2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride (PubChem CID 119982466) has the molecular formula C14H34ClN3O2S and a molecular weight of 343.97 g/mol. Its IUPAC name is 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride
PubChem CID119982466
Molecular FormulaC14H34ClN3O2S
Molecular Weight343.97 g/mol
Exact Mass343.21
IUPAC Name2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C14H33N3O2S.ClH/c1-12(2)7-9-17(10-8-13(3)4)20(18,19)16(6)14(5)11-15;/h12-14H,7-11,15H2,1-6H3;1H
InChIKeyVPJBHBXNHBYXKT-UHFFFAOYSA-N
XLogP2.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.97
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride (CID 119982466) is 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride is CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C(C)CN.Cl.
What is the InChIKey of 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is VPJBHBXNHBYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O2S.ClH/c1-12(2)7-9-17(10-8-13(3)4)20(18,19)16(6)14(5)11-15;/h12-14H,7-11,15H2,1-6H3;1H.
What are the key properties of 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 343.97 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[bis(3-methylbutyl)sulfamoyl]-2-N-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119982466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).