CID 175367401

C5H7NO3S — CID 175367401

IUPAC—
SMILESN=S=O.O=C1CCC=CO1
InChIInChI=1S/C5H6O2.HNOS/c6-5-3-1-2-4-7-5;1-3-2/h2,4H,1,3H2;1H
InChIKeyNCRDJGBBGIWCKT-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.80
Rot. Bonds

About CID 175367401

CID 175367401 (PubChem CID 175367401) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol.

Molecular Properties

Compound NameCID 175367401
PubChem CID175367401
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name—
SMILESN=S=O.O=C1CCC=CO1
InChIInChI=1S/C5H6O2.HNOS/c6-5-3-1-2-4-7-5;1-3-2/h2,4H,1,3H2;1H
InChIKeyNCRDJGBBGIWCKT-UHFFFAOYSA-N
XLogP0.80
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 175367401?
The IUPAC name of CID 175367401 (CID 175367401) is not available.
What is the SMILES notation for CID 175367401?
The canonical SMILES for CID 175367401 is N=S=O.O=C1CCC=CO1.
What is the InChIKey of CID 175367401?
The InChIKey is NCRDJGBBGIWCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.HNOS/c6-5-3-1-2-4-7-5;1-3-2/h2,4H,1,3H2;1H.
What are the key properties of CID 175367401?
CID 175367401 has a molecular weight of 161.18 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175367401 is sourced from PubChem (CID 175367401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).