2-(4-methylpent-3-enylsulfinyl)ethanamine

C8H17NOS — CID 58685133

IUPAC2-(4-methylpent-3-enylsulfinyl)ethanamine
SMILESCC(C)=CCCS(=O)CCN
InChIInChI=1S/C8H17NOS/c1-8(2)4-3-6-11(10)7-5-9/h4H,3,5-7,9H2,1-2H3
InChIKeySEOSPZGFPYFQQW-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.05
Rot. Bonds5

About 2-(4-methylpent-3-enylsulfinyl)ethanamine

2-(4-methylpent-3-enylsulfinyl)ethanamine (PubChem CID 58685133) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(4-methylpent-3-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpent-3-enylsulfinyl)ethanamine
PubChem CID58685133
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(4-methylpent-3-enylsulfinyl)ethanamine
SMILESCC(C)=CCCS(=O)CCN
InChIInChI=1S/C8H17NOS/c1-8(2)4-3-6-11(10)7-5-9/h4H,3,5-7,9H2,1-2H3
InChIKeySEOSPZGFPYFQQW-UHFFFAOYSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.05
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
3-(4-Methylpent-3-enylsulfinyl)propan-1-amine
CID 58684375
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-enylsulfinyl)ethanamine?
The IUPAC name of 2-(4-methylpent-3-enylsulfinyl)ethanamine (CID 58685133) is 2-(4-methylpent-3-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(4-methylpent-3-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(4-methylpent-3-enylsulfinyl)ethanamine is CC(C)=CCCS(=O)CCN.
What is the InChIKey of 2-(4-methylpent-3-enylsulfinyl)ethanamine?
The InChIKey is SEOSPZGFPYFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2)4-3-6-11(10)7-5-9/h4H,3,5-7,9H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enylsulfinyl)ethanamine?
2-(4-methylpent-3-enylsulfinyl)ethanamine has a molecular weight of 175.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enylsulfinyl)ethanamine is sourced from PubChem (CID 58685133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).