2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine

C6H17N3O2S — CID 114803697

IUPAC2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine
SMILESCCC(C)(CN)NS(=O)(=O)NC
InChIInChI=1S/C6H17N3O2S/c1-4-6(2,5-7)9-12(10,11)8-3/h8-9H,4-5,7H2,1-3H3
InChIKeyLRSQQEUJYZDOJH-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.83
Rot. Bonds5

About 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine

2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine (PubChem CID 114803697) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine
PubChem CID114803697
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC Name2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine
SMILESCCC(C)(CN)NS(=O)(=O)NC
InChIInChI=1S/C6H17N3O2S/c1-4-6(2,5-7)9-12(10,11)8-3/h8-9H,4-5,7H2,1-3H3
InChIKeyLRSQQEUJYZDOJH-UHFFFAOYSA-N
XLogP-0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Amino-2-methylpropyl)(sulfamoyl)amine hydrochloride
CID 137838176
3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803693
N-(1-amino-2-methylpropan-2-yl)sulfamoyl fluoride
CID 167736042
1,1-Dimethyl-2-[(dimethylamino)sulfonylamino]ethylamine
CID 13603865
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
2-methyl-N-(propan-2-ylsulfamoyl)propan-2-amine
CID 57741188
1-Amino-2-(dimethylsulfamoylamino)-2-methylpropane
CID 61124368
N-(ethylsulfamoyl)-2-methylpropan-2-amine
CID 84284134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine (CID 114803697) is 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine is CCC(C)(CN)NS(=O)(=O)NC.
What is the InChIKey of 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine?
The InChIKey is LRSQQEUJYZDOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-4-6(2,5-7)9-12(10,11)8-3/h8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine?
2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine has a molecular weight of 195.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(methylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114803697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).