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2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine

C9H23N3O2S — CID 106141488

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine
SMILESCC(C)NS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C9H23N3O2S/c1-8(2)12-15(13,14)11-7-9(3,4)5-6-10/h8,11-12H,5-7,10H2,1-4H3
InChIKeyUSFDKDPAVMHYLT-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.19
Rot. Bonds7

About 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine

2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine (PubChem CID 106141488) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine
PubChem CID106141488
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine
SMILESCC(C)NS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C9H23N3O2S/c1-8(2)12-15(13,14)11-7-9(3,4)5-6-10/h8,11-12H,5-7,10H2,1-4H3
InChIKeyUSFDKDPAVMHYLT-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine (CID 106141488) is 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine is CC(C)NS(=O)(=O)NCC(C)(C)CCN.
What is the InChIKey of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine?
The InChIKey is USFDKDPAVMHYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-8(2)12-15(13,14)11-7-9(3,4)5-6-10/h8,11-12H,5-7,10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine?
2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)butane-1,4-diamine is sourced from PubChem (CID 106141488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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