2-(diethylsulfamoylamino)butane

C8H20N2O2S — CID 60712843

IUPAC2-(diethylsulfamoylamino)butane
SMILESCCC(C)NS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H20N2O2S/c1-5-8(4)9-13(11,12)10(6-2)7-3/h8-9H,5-7H2,1-4H3
InChIKeyBTRNIBPSKQNQSV-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.96
Rot. Bonds6

About 2-(diethylsulfamoylamino)butane

2-(diethylsulfamoylamino)butane (PubChem CID 60712843) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)butane.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)butane
PubChem CID60712843
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2-(diethylsulfamoylamino)butane
SMILESCCC(C)NS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H20N2O2S/c1-5-8(4)9-13(11,12)10(6-2)7-3/h8-9H,5-7H2,1-4H3
InChIKeyBTRNIBPSKQNQSV-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylsulfamoylamino)butane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)butane?
The IUPAC name of 2-(diethylsulfamoylamino)butane (CID 60712843) is 2-(diethylsulfamoylamino)butane.
What is the SMILES notation for 2-(diethylsulfamoylamino)butane?
The canonical SMILES for 2-(diethylsulfamoylamino)butane is CCC(C)NS(=O)(=O)N(CC)CC.
What is the InChIKey of 2-(diethylsulfamoylamino)butane?
The InChIKey is BTRNIBPSKQNQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-5-8(4)9-13(11,12)10(6-2)7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(diethylsulfamoylamino)butane?
2-(diethylsulfamoylamino)butane has a molecular weight of 208.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)butane is sourced from PubChem (CID 60712843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).