3-(4-methylpent-3-enylsulfinyl)propan-1-amine

C9H19NOS — CID 58684375

IUPAC3-(4-methylpent-3-enylsulfinyl)propan-1-amine
SMILESCC(C)=CCCS(=O)CCCN
InChIInChI=1S/C9H19NOS/c1-9(2)5-3-7-12(11)8-4-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyUCCHYIBRNUZELW-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.44
Rot. Bonds6

About 3-(4-methylpent-3-enylsulfinyl)propan-1-amine

3-(4-methylpent-3-enylsulfinyl)propan-1-amine (PubChem CID 58684375) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-(4-methylpent-3-enylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpent-3-enylsulfinyl)propan-1-amine
PubChem CID58684375
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-(4-methylpent-3-enylsulfinyl)propan-1-amine
SMILESCC(C)=CCCS(=O)CCCN
InChIInChI=1S/C9H19NOS/c1-9(2)5-3-7-12(11)8-4-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyUCCHYIBRNUZELW-UHFFFAOYSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.44
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

2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylethanamine
CID 14537476
2-[(3,7-Dimethylocta-2,6-dien-1-yl)sulfanyl]ethan-1-amine
CID 54347198
2-[(4-Methylpent-3-en-1-yl)sulfanyl]ethan-1-amine
CID 58684050
3-[(E)-2-methylbut-2-enyl]sulfonylpropan-1-amine
CID 58684118
3-(4-Methylpent-3-enylsulfanyl)propan-1-amine
CID 58684137
3-(5-Methylhex-4-enylsulfinyl)propan-1-amine
CID 58684183
3-[(E)-2-methylbut-2-enyl]sulfinylpropan-1-amine
CID 58684305
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
2-(5-Methylhex-4-enylsulfanyl)ethanamine
CID 58684584
3-(4-Methylpent-3-enylsulfonyl)propan-1-amine
CID 58684766
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-enylsulfinyl)propan-1-amine?
The IUPAC name of 3-(4-methylpent-3-enylsulfinyl)propan-1-amine (CID 58684375) is 3-(4-methylpent-3-enylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpent-3-enylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpent-3-enylsulfinyl)propan-1-amine is CC(C)=CCCS(=O)CCCN.
What is the InChIKey of 3-(4-methylpent-3-enylsulfinyl)propan-1-amine?
The InChIKey is UCCHYIBRNUZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2)5-3-7-12(11)8-4-6-10/h5H,3-4,6-8,10H2,1-2H3.
What are the key properties of 3-(4-methylpent-3-enylsulfinyl)propan-1-amine?
3-(4-methylpent-3-enylsulfinyl)propan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).