2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride

C9H24ClN3O2S — CID 120875561

IUPAC2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)NC(C)C.Cl
InChIInChI=1S/C9H23N3O2S.ClH/c1-4-5-6-9(7-10)12-15(13,14)11-8(2)3;/h8-9,11-12H,4-7,10H2,1-3H3;1H
InChIKeyKUMLWDIQLLTJCH-UHFFFAOYSA-N
MW273.83 g/mol
LogP0.76
Rot. Bonds8

About 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride

2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride (PubChem CID 120875561) has the molecular formula C9H24ClN3O2S and a molecular weight of 273.83 g/mol. Its IUPAC name is 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
PubChem CID120875561
Molecular FormulaC9H24ClN3O2S
Molecular Weight273.83 g/mol
Exact Mass273.13
IUPAC Name2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)NC(C)C.Cl
InChIInChI=1S/C9H23N3O2S.ClH/c1-4-5-6-9(7-10)12-15(13,14)11-8(2)3;/h8-9,11-12H,4-7,10H2,1-3H3;1H
InChIKeyKUMLWDIQLLTJCH-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
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Frequently Asked Questions

What is the IUPAC name of 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride (CID 120875561) is 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride is CCCCC(CN)NS(=O)(=O)NC(C)C.Cl.
What is the InChIKey of 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride?
The InChIKey is KUMLWDIQLLTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S.ClH/c1-4-5-6-9(7-10)12-15(13,14)11-8(2)3;/h8-9,11-12H,4-7,10H2,1-3H3;1H.
What are the key properties of 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride?
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120875561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).