2-(sulfinoamino)but-2-ene

C4H9NO2S — CID 175142268

IUPAC2-(sulfinoamino)but-2-ene
SMILESCC=C(C)NS(=O)O
InChIInChI=1S/C4H9NO2S/c1-3-4(2)5-8(6)7/h3,5H,1-2H3,(H,6,7)
InChIKeyNVAANTNJPNXJSS-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.64
Rot. Bonds2

About 2-(sulfinoamino)but-2-ene

2-(sulfinoamino)but-2-ene (PubChem CID 175142268) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-(sulfinoamino)but-2-ene.

Molecular Properties

Compound Name2-(sulfinoamino)but-2-ene
PubChem CID175142268
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name2-(sulfinoamino)but-2-ene
SMILESCC=C(C)NS(=O)O
InChIInChI=1S/C4H9NO2S/c1-3-4(2)5-8(6)7/h3,5H,1-2H3,(H,6,7)
InChIKeyNVAANTNJPNXJSS-UHFFFAOYSA-N
XLogP0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.64
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 2-(sulfinoamino)but-2-ene?
The IUPAC name of 2-(sulfinoamino)but-2-ene (CID 175142268) is 2-(sulfinoamino)but-2-ene.
What is the SMILES notation for 2-(sulfinoamino)but-2-ene?
The canonical SMILES for 2-(sulfinoamino)but-2-ene is CC=C(C)NS(=O)O.
What is the InChIKey of 2-(sulfinoamino)but-2-ene?
The InChIKey is NVAANTNJPNXJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3-4(2)5-8(6)7/h3,5H,1-2H3,(H,6,7).
What are the key properties of 2-(sulfinoamino)but-2-ene?
2-(sulfinoamino)but-2-ene has a molecular weight of 135.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)but-2-ene is sourced from PubChem (CID 175142268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).