2,2-dimethyl-1-(sulfamoylamino)butane

C6H16N2O2S — CID 103463711

IUPAC2,2-dimethyl-1-(sulfamoylamino)butane
SMILESCCC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-6(2,3)5-8-11(7,9)10/h8H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyWYNRFSYXXYXJJL-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.22
Rot. Bonds4

About 2,2-dimethyl-1-(sulfamoylamino)butane

2,2-dimethyl-1-(sulfamoylamino)butane (PubChem CID 103463711) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-(sulfamoylamino)butane.

Molecular Properties

Compound Name2,2-dimethyl-1-(sulfamoylamino)butane
PubChem CID103463711
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2,2-dimethyl-1-(sulfamoylamino)butane
SMILESCCC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-6(2,3)5-8-11(7,9)10/h8H,4-5H2,1-3H3,(H2,7,9,10)
InChIKeyWYNRFSYXXYXJJL-UHFFFAOYSA-N
XLogP0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(sulfamoylamino)butane with MolForge

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

Launch Full Analysis

Related Compounds

3,3-Dimethyl-1-(sulfinatoamino)butane
CID 19598457
N-(2,2-dimethylbutyl)methanesulfonamide
CID 21304449
2,3,3-trimethyl-N-(2,3,3-trimethylbutylsulfamoyl)butan-1-amine
CID 23323940
2,2-Dimethyl-1-(sulfinatoamino)butane
CID 57042525
2,2-Dimethyl-1-(sulfamoylamino)propane
CID 57664610
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
2,2,4-Trimethyl-1-(sulfamoylamino)pentane
CID 89105586
1-(Dimethylsulfamoylamino)-3,3-dimethylbutane
CID 89148999
2,2,3-Trimethyl-1-(sulfinatoamino)butane
CID 89331786

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(sulfamoylamino)butane?
The IUPAC name of 2,2-dimethyl-1-(sulfamoylamino)butane (CID 103463711) is 2,2-dimethyl-1-(sulfamoylamino)butane.
What is the SMILES notation for 2,2-dimethyl-1-(sulfamoylamino)butane?
The canonical SMILES for 2,2-dimethyl-1-(sulfamoylamino)butane is CCC(C)(C)CNS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-1-(sulfamoylamino)butane?
The InChIKey is WYNRFSYXXYXJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-6(2,3)5-8-11(7,9)10/h8H,4-5H2,1-3H3,(H2,7,9,10).
What are the key properties of 2,2-dimethyl-1-(sulfamoylamino)butane?
2,2-dimethyl-1-(sulfamoylamino)butane has a molecular weight of 180.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(sulfamoylamino)butane is sourced from PubChem (CID 103463711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).