3-(sulfamoylamino)pentane

C5H14N2O2S — CID 86189774

IUPAC3-(sulfamoylamino)pentane
SMILESCCC(CC)NS(N)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-5(4-2)7-10(6,8)9/h5,7H,3-4H2,1-2H3,(H2,6,8,9)
InChIKeyFWFOOZCUJKFMMC-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.03
Rot. Bonds4

About 3-(sulfamoylamino)pentane

3-(sulfamoylamino)pentane (PubChem CID 86189774) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-(sulfamoylamino)pentane.

Molecular Properties

Compound Name3-(sulfamoylamino)pentane
PubChem CID86189774
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name3-(sulfamoylamino)pentane
SMILESCCC(CC)NS(N)(=O)=O
InChIInChI=1S/C5H14N2O2S/c1-3-5(4-2)7-10(6,8)9/h5,7H,3-4H2,1-2H3,(H2,6,8,9)
InChIKeyFWFOOZCUJKFMMC-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(sulfamoylamino)pentane?
The IUPAC name of 3-(sulfamoylamino)pentane (CID 86189774) is 3-(sulfamoylamino)pentane.
What is the SMILES notation for 3-(sulfamoylamino)pentane?
The canonical SMILES for 3-(sulfamoylamino)pentane is CCC(CC)NS(N)(=O)=O.
What is the InChIKey of 3-(sulfamoylamino)pentane?
The InChIKey is FWFOOZCUJKFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-3-5(4-2)7-10(6,8)9/h5,7H,3-4H2,1-2H3,(H2,6,8,9).
What are the key properties of 3-(sulfamoylamino)pentane?
3-(sulfamoylamino)pentane has a molecular weight of 166.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfamoylamino)pentane is sourced from PubChem (CID 86189774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).