2-methyl-4-(sulfinylamino)but-1-ene

C5H9NOS — CID 59331149

IUPAC2-methyl-4-(sulfinylamino)but-1-ene
SMILESC=C(C)CCN=S=O
InChIInChI=1S/C5H9NOS/c1-5(2)3-4-6-8-7/h1,3-4H2,2H3
InChIKeyYSSDGXWOTVFYCN-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.35
Rot. Bonds3

About 2-methyl-4-(sulfinylamino)but-1-ene

2-methyl-4-(sulfinylamino)but-1-ene (PubChem CID 59331149) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-methyl-4-(sulfinylamino)but-1-ene.

Molecular Properties

Compound Name2-methyl-4-(sulfinylamino)but-1-ene
PubChem CID59331149
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2-methyl-4-(sulfinylamino)but-1-ene
SMILESC=C(C)CCN=S=O
InChIInChI=1S/C5H9NOS/c1-5(2)3-4-6-8-7/h1,3-4H2,2H3
InChIKeyYSSDGXWOTVFYCN-UHFFFAOYSA-N
XLogP1.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(sulfinylamino)but-1-ene?
The IUPAC name of 2-methyl-4-(sulfinylamino)but-1-ene (CID 59331149) is 2-methyl-4-(sulfinylamino)but-1-ene.
What is the SMILES notation for 2-methyl-4-(sulfinylamino)but-1-ene?
The canonical SMILES for 2-methyl-4-(sulfinylamino)but-1-ene is C=C(C)CCN=S=O.
What is the InChIKey of 2-methyl-4-(sulfinylamino)but-1-ene?
The InChIKey is YSSDGXWOTVFYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-5(2)3-4-6-8-7/h1,3-4H2,2H3.
What are the key properties of 2-methyl-4-(sulfinylamino)but-1-ene?
2-methyl-4-(sulfinylamino)but-1-ene has a molecular weight of 131.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(sulfinylamino)but-1-ene is sourced from PubChem (CID 59331149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).