3-(sulfinatoamino)prop-1-ene;hydrochloride

C3H7ClNO2S- — CID 139489073

IUPAC3-(sulfinatoamino)prop-1-ene;hydrochloride
SMILESC=CCNS(=O)[O-].Cl
InChIInChI=1S/C3H7NO2S.ClH/c1-2-3-4-7(5)6;/h2,4H,1,3H2,(H,5,6);1H/p-1
InChIKeyYKCVZGHPPFLTOW-UHFFFAOYSA-M
MW156.61 g/mol
LogP-0.02
Rot. Bonds3

About 3-(sulfinatoamino)prop-1-ene;hydrochloride

3-(sulfinatoamino)prop-1-ene;hydrochloride (PubChem CID 139489073) has the molecular formula C3H7ClNO2S- and a molecular weight of 156.61 g/mol. Its IUPAC name is 3-(sulfinatoamino)prop-1-ene;hydrochloride.

Molecular Properties

Compound Name3-(sulfinatoamino)prop-1-ene;hydrochloride
PubChem CID139489073
Molecular FormulaC3H7ClNO2S-
Molecular Weight156.61 g/mol
Exact Mass155.99
IUPAC Name3-(sulfinatoamino)prop-1-ene;hydrochloride
SMILESC=CCNS(=O)[O-].Cl
InChIInChI=1S/C3H7NO2S.ClH/c1-2-3-4-7(5)6;/h2,4H,1,3H2,(H,5,6);1H/p-1
InChIKeyYKCVZGHPPFLTOW-UHFFFAOYSA-M
XLogP-0.02
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(sulfinatoamino)prop-1-ene;hydrochloride?
The IUPAC name of 3-(sulfinatoamino)prop-1-ene;hydrochloride (CID 139489073) is 3-(sulfinatoamino)prop-1-ene;hydrochloride.
What is the SMILES notation for 3-(sulfinatoamino)prop-1-ene;hydrochloride?
The canonical SMILES for 3-(sulfinatoamino)prop-1-ene;hydrochloride is C=CCNS(=O)[O-].Cl.
What is the InChIKey of 3-(sulfinatoamino)prop-1-ene;hydrochloride?
The InChIKey is YKCVZGHPPFLTOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO2S.ClH/c1-2-3-4-7(5)6;/h2,4H,1,3H2,(H,5,6);1H/p-1.
What are the key properties of 3-(sulfinatoamino)prop-1-ene;hydrochloride?
3-(sulfinatoamino)prop-1-ene;hydrochloride has a molecular weight of 156.61 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfinatoamino)prop-1-ene;hydrochloride is sourced from PubChem (CID 139489073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).