2,3-dimethyl-1-(sulfamoylamino)butane

C6H16N2O2S — CID 112692595

IUPAC2,3-dimethyl-1-(sulfamoylamino)butane
SMILESCC(C)C(C)CNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-5(2)6(3)4-8-11(7,9)10/h5-6,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyAFUBSMBQLHOAFN-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.07
Rot. Bonds4

About 2,3-dimethyl-1-(sulfamoylamino)butane

2,3-dimethyl-1-(sulfamoylamino)butane (PubChem CID 112692595) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-(sulfamoylamino)butane.

Molecular Properties

Compound Name2,3-dimethyl-1-(sulfamoylamino)butane
PubChem CID112692595
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2,3-dimethyl-1-(sulfamoylamino)butane
SMILESCC(C)C(C)CNS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-5(2)6(3)4-8-11(7,9)10/h5-6,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyAFUBSMBQLHOAFN-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(sulfamoylamino)butane?
The IUPAC name of 2,3-dimethyl-1-(sulfamoylamino)butane (CID 112692595) is 2,3-dimethyl-1-(sulfamoylamino)butane.
What is the SMILES notation for 2,3-dimethyl-1-(sulfamoylamino)butane?
The canonical SMILES for 2,3-dimethyl-1-(sulfamoylamino)butane is CC(C)C(C)CNS(N)(=O)=O.
What is the InChIKey of 2,3-dimethyl-1-(sulfamoylamino)butane?
The InChIKey is AFUBSMBQLHOAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-5(2)6(3)4-8-11(7,9)10/h5-6,8H,4H2,1-3H3,(H2,7,9,10).
What are the key properties of 2,3-dimethyl-1-(sulfamoylamino)butane?
2,3-dimethyl-1-(sulfamoylamino)butane has a molecular weight of 180.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(sulfamoylamino)butane is sourced from PubChem (CID 112692595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).