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

C9H19NO2S — CID 58684766

IUPAC3-(4-methylpent-3-enylsulfonyl)propan-1-amine
SMILESCC(C)=CCCS(=O)(=O)CCCN
InChIInChI=1S/C9H19NO2S/c1-9(2)5-3-7-13(11,12)8-4-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyDUKJMYYIVARPPO-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.11
Rot. Bonds6

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

3-(4-methylpent-3-enylsulfonyl)propan-1-amine (PubChem CID 58684766) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-(4-methylpent-3-enylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpent-3-enylsulfonyl)propan-1-amine
PubChem CID58684766
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-(4-methylpent-3-enylsulfonyl)propan-1-amine
SMILESCC(C)=CCCS(=O)(=O)CCCN
InChIInChI=1S/C9H19NO2S/c1-9(2)5-3-7-13(11,12)8-4-6-10/h5H,3-4,6-8,10H2,1-2H3
InChIKeyDUKJMYYIVARPPO-UHFFFAOYSA-N
XLogP1.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methylpent-3-enylsulfonyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
2-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
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-[(E)-pent-3-enyl]sulfonylethanamine
CID 58684437
2-(3-Methylbut-2-enylsulfonyl)ethanamine
CID 58684439
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-enylsulfonyl)propan-1-amine?
The IUPAC name of 3-(4-methylpent-3-enylsulfonyl)propan-1-amine (CID 58684766) is 3-(4-methylpent-3-enylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpent-3-enylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpent-3-enylsulfonyl)propan-1-amine is CC(C)=CCCS(=O)(=O)CCCN.
What is the InChIKey of 3-(4-methylpent-3-enylsulfonyl)propan-1-amine?
The InChIKey is DUKJMYYIVARPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)5-3-7-13(11,12)8-4-6-10/h5H,3-4,6-8,10H2,1-2H3.
What are the key properties of 3-(4-methylpent-3-enylsulfonyl)propan-1-amine?
3-(4-methylpent-3-enylsulfonyl)propan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).