3-prop-2-enylsulfinylbutan-1-amine

C7H15NOS — CID 58684374

IUPAC3-prop-2-enylsulfinylbutan-1-amine
SMILESC=CCS(=O)C(C)CCN
InChIInChI=1S/C7H15NOS/c1-3-6-10(9)7(2)4-5-8/h3,7H,1,4-6,8H2,2H3
InChIKeyOGPCTDNEWGWMRT-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.66
Rot. Bonds5

About 3-prop-2-enylsulfinylbutan-1-amine

3-prop-2-enylsulfinylbutan-1-amine (PubChem CID 58684374) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-prop-2-enylsulfinylbutan-1-amine.

Molecular Properties

Compound Name3-prop-2-enylsulfinylbutan-1-amine
PubChem CID58684374
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-prop-2-enylsulfinylbutan-1-amine
SMILESC=CCS(=O)C(C)CCN
InChIInChI=1S/C7H15NOS/c1-3-6-10(9)7(2)4-5-8/h3,7H,1,4-6,8H2,2H3
InChIKeyOGPCTDNEWGWMRT-UHFFFAOYSA-N
XLogP0.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.66
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-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
4-Prop-2-enylsulfonylbutan-2-amine
CID 58684475
3-(2-Methylprop-2-enylsulfinyl)propan-1-amine
CID 58684491
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512
2-(2-Methylprop-2-enylsulfinyl)ethanamine
CID 58684571

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfinylbutan-1-amine?
The IUPAC name of 3-prop-2-enylsulfinylbutan-1-amine (CID 58684374) is 3-prop-2-enylsulfinylbutan-1-amine.
What is the SMILES notation for 3-prop-2-enylsulfinylbutan-1-amine?
The canonical SMILES for 3-prop-2-enylsulfinylbutan-1-amine is C=CCS(=O)C(C)CCN.
What is the InChIKey of 3-prop-2-enylsulfinylbutan-1-amine?
The InChIKey is OGPCTDNEWGWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-6-10(9)7(2)4-5-8/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 3-prop-2-enylsulfinylbutan-1-amine?
3-prop-2-enylsulfinylbutan-1-amine has a molecular weight of 161.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfinylbutan-1-amine is sourced from PubChem (CID 58684374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).