2-(dimethylsulfamoylamino)butane

C6H16N2O2S — CID 4285151

IUPAC2-(dimethylsulfamoylamino)butane
SMILESCCC(C)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O2S/c1-5-6(2)7-11(9,10)8(3)4/h6-7H,5H2,1-4H3
InChIKeyRLKHDJXQRGCMMX-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.18
Rot. Bonds4

About 2-(dimethylsulfamoylamino)butane

2-(dimethylsulfamoylamino)butane (PubChem CID 4285151) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)butane
PubChem CID4285151
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-(dimethylsulfamoylamino)butane
SMILESCCC(C)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N2O2S/c1-5-6(2)7-11(9,10)8(3)4/h6-7H,5H2,1-4H3
InChIKeyRLKHDJXQRGCMMX-UHFFFAOYSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)butane?
The IUPAC name of 2-(dimethylsulfamoylamino)butane (CID 4285151) is 2-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)butane?
The canonical SMILES for 2-(dimethylsulfamoylamino)butane is CCC(C)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)butane?
The InChIKey is RLKHDJXQRGCMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-5-6(2)7-11(9,10)8(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)butane?
2-(dimethylsulfamoylamino)butane has a molecular weight of 180.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 4285151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).