3-methyl-1-(sulfamoylamino)butane

C5H14N2O2S — CID 21345371

IUPAC3-methyl-1-(sulfamoylamino)butane
SMILESCC(C)CCNS(N)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-5(2)3-4-7-10(6,8)9/h5,7H,3-4H2,1-2H3,(H2,6,8,9)
InChIKeyDFCNXEFYCQAKSY-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.17
Rot. Bonds4

About 3-methyl-1-(sulfamoylamino)butane

3-methyl-1-(sulfamoylamino)butane (PubChem CID 21345371) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-methyl-1-(sulfamoylamino)butane.

Molecular Properties

Compound Name3-methyl-1-(sulfamoylamino)butane
PubChem CID21345371
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name3-methyl-1-(sulfamoylamino)butane
SMILESCC(C)CCNS(N)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-5(2)3-4-7-10(6,8)9/h5,7H,3-4H2,1-2H3,(H2,6,8,9)
InChIKeyDFCNXEFYCQAKSY-UHFFFAOYSA-N
XLogP-0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(sulfamoylamino)butane?
The IUPAC name of 3-methyl-1-(sulfamoylamino)butane (CID 21345371) is 3-methyl-1-(sulfamoylamino)butane.
What is the SMILES notation for 3-methyl-1-(sulfamoylamino)butane?
The canonical SMILES for 3-methyl-1-(sulfamoylamino)butane is CC(C)CCNS(N)(=O)=O.
What is the InChIKey of 3-methyl-1-(sulfamoylamino)butane?
The InChIKey is DFCNXEFYCQAKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-5(2)3-4-7-10(6,8)9/h5,7H,3-4H2,1-2H3,(H2,6,8,9).
What are the key properties of 3-methyl-1-(sulfamoylamino)butane?
3-methyl-1-(sulfamoylamino)butane has a molecular weight of 166.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(sulfamoylamino)butane is sourced from PubChem (CID 21345371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).