1-chloro-3-(sulfinoamino)prop-1-ene

C3H6ClNO2S — CID 91571334

IUPAC1-chloro-3-(sulfinoamino)prop-1-ene
SMILESO=S(O)NCC=CCl
InChIInChI=1S/C3H6ClNO2S/c4-2-1-3-5-8(6)7/h1-2,5H,3H2,(H,6,7)
InChIKeyIEHWGBRONDJABD-UHFFFAOYSA-N
MW155.61 g/mol
LogP0.47
Rot. Bonds3

About 1-chloro-3-(sulfinoamino)prop-1-ene

1-chloro-3-(sulfinoamino)prop-1-ene (PubChem CID 91571334) has the molecular formula C3H6ClNO2S and a molecular weight of 155.61 g/mol. Its IUPAC name is 1-chloro-3-(sulfinoamino)prop-1-ene.

Molecular Properties

Compound Name1-chloro-3-(sulfinoamino)prop-1-ene
PubChem CID91571334
Molecular FormulaC3H6ClNO2S
Molecular Weight155.61 g/mol
Exact Mass154.98
IUPAC Name1-chloro-3-(sulfinoamino)prop-1-ene
SMILESO=S(O)NCC=CCl
InChIInChI=1S/C3H6ClNO2S/c4-2-1-3-5-8(6)7/h1-2,5H,3H2,(H,6,7)
InChIKeyIEHWGBRONDJABD-UHFFFAOYSA-N
XLogP0.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.61
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(sulfinoamino)prop-1-ene?
The IUPAC name of 1-chloro-3-(sulfinoamino)prop-1-ene (CID 91571334) is 1-chloro-3-(sulfinoamino)prop-1-ene.
What is the SMILES notation for 1-chloro-3-(sulfinoamino)prop-1-ene?
The canonical SMILES for 1-chloro-3-(sulfinoamino)prop-1-ene is O=S(O)NCC=CCl.
What is the InChIKey of 1-chloro-3-(sulfinoamino)prop-1-ene?
The InChIKey is IEHWGBRONDJABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO2S/c4-2-1-3-5-8(6)7/h1-2,5H,3H2,(H,6,7).
What are the key properties of 1-chloro-3-(sulfinoamino)prop-1-ene?
1-chloro-3-(sulfinoamino)prop-1-ene has a molecular weight of 155.61 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(sulfinoamino)prop-1-ene is sourced from PubChem (CID 91571334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).