2-[(E)-but-2-enyl]sulfinylethanamine

C6H13NOS — CID 58684340

IUPAC2-[(E)-but-2-enyl]sulfinylethanamine
SMILESC/C=C/CS(=O)CCN
InChIInChI=1S/C6H13NOS/c1-2-3-5-9(8)6-4-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyAOZGULFLWASGHB-NSCUHMNNSA-N
MW147.24 g/mol
LogP0.27
Rot. Bonds4

About 2-[(E)-but-2-enyl]sulfinylethanamine

2-[(E)-but-2-enyl]sulfinylethanamine (PubChem CID 58684340) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]sulfinylethanamine
PubChem CID58684340
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-[(E)-but-2-enyl]sulfinylethanamine
SMILESC/C=C/CS(=O)CCN
InChIInChI=1S/C6H13NOS/c1-2-3-5-9(8)6-4-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyAOZGULFLWASGHB-NSCUHMNNSA-N
XLogP0.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
2-[(E)-but-2-enyl]sulfanylethanamine
CID 24693964
2-But-2-enylsulfanylethanamine
CID 54209603
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607
2-[(E)-3-bromoprop-2-enyl]sulfinylethanamine
CID 58684163
2-Prop-2-enylsulfanylpropan-1-amine
CID 58684237
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301
3-[(E)-2-methylbut-2-enyl]sulfinylpropan-1-amine
CID 58684305
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]sulfinylethanamine?
The IUPAC name of 2-[(E)-but-2-enyl]sulfinylethanamine (CID 58684340) is 2-[(E)-but-2-enyl]sulfinylethanamine.
What is the SMILES notation for 2-[(E)-but-2-enyl]sulfinylethanamine?
The canonical SMILES for 2-[(E)-but-2-enyl]sulfinylethanamine is C/C=C/CS(=O)CCN.
What is the InChIKey of 2-[(E)-but-2-enyl]sulfinylethanamine?
The InChIKey is AOZGULFLWASGHB-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-3-5-9(8)6-4-7/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]sulfinylethanamine?
2-[(E)-but-2-enyl]sulfinylethanamine has a molecular weight of 147.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]sulfinylethanamine is sourced from PubChem (CID 58684340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).