4-(sulfamoylamino)oxane

C5H12N2O3S — CID 112686109

IUPAC4-(sulfamoylamino)oxane
SMILESNS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C5H12N2O3S/c6-11(8,9)7-5-1-3-10-4-2-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyDRBVAWQDPGGWIH-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.04
Rot. Bonds2

About 4-(sulfamoylamino)oxane

4-(sulfamoylamino)oxane (PubChem CID 112686109) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(sulfamoylamino)oxane.

Molecular Properties

Compound Name4-(sulfamoylamino)oxane
PubChem CID112686109
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name4-(sulfamoylamino)oxane
SMILESNS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C5H12N2O3S/c6-11(8,9)7-5-1-3-10-4-2-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyDRBVAWQDPGGWIH-UHFFFAOYSA-N
XLogP-1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)oxane?
The IUPAC name of 4-(sulfamoylamino)oxane (CID 112686109) is 4-(sulfamoylamino)oxane.
What is the SMILES notation for 4-(sulfamoylamino)oxane?
The canonical SMILES for 4-(sulfamoylamino)oxane is NS(=O)(=O)NC1CCOCC1.
What is the InChIKey of 4-(sulfamoylamino)oxane?
The InChIKey is DRBVAWQDPGGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c6-11(8,9)7-5-1-3-10-4-2-5/h5,7H,1-4H2,(H2,6,8,9).
What are the key properties of 4-(sulfamoylamino)oxane?
4-(sulfamoylamino)oxane has a molecular weight of 180.23 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)oxane is sourced from PubChem (CID 112686109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).