2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine

C7H19N3O2S — CID 106141528

IUPAC2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine
SMILESCNS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C7H19N3O2S/c1-7(2,4-5-8)6-10-13(11,12)9-3/h9-10H,4-6,8H2,1-3H3
InChIKeyPSJCCXPDTJPTFW-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.58
Rot. Bonds6

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

2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine (PubChem CID 106141528) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine
PubChem CID106141528
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC Name2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine
SMILESCNS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C7H19N3O2S/c1-7(2,4-5-8)6-10-13(11,12)9-3/h9-10H,4-6,8H2,1-3H3
InChIKeyPSJCCXPDTJPTFW-UHFFFAOYSA-N
XLogP-0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
3,3-Dimethyl-1-(sulfinatoamino)butane
CID 19598457
N-(3,3-dimethylbutyl)methanesulfonamide
CID 20774379
3-Methyl-1-(sulfamoylamino)butane
CID 21345371
2,3,3-trimethyl-N-(2,3,3-trimethylbutylsulfamoyl)butan-1-amine
CID 23323940
2,2-Dimethyl-1-(sulfinatoamino)butane
CID 57042525
3,3-Dimethylbutylsulfamic acid
CID 57071357
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
N-(3,3-dimethylbutyl)sulfamate
CID 59847904
potassium N-(3,3-dimethylbutyl)sulfamate
CID 87410607
sodium N-(3,3-dimethylbutyl)sulfamate
CID 87410763

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine (CID 106141528) is 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine is CNS(=O)(=O)NCC(C)(C)CCN.
What is the InChIKey of 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine?
The InChIKey is PSJCCXPDTJPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-7(2,4-5-8)6-10-13(11,12)9-3/h9-10H,4-6,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine?
2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine has a molecular weight of 209.31 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(methylsulfamoyl)butane-1,4-diamine is sourced from PubChem (CID 106141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).