3-cyclopent-3-en-1-ylsulfanylpropan-1-amine

C8H15NS — CID 58684245

IUPAC3-cyclopent-3-en-1-ylsulfanylpropan-1-amine
SMILESNCCCSC1CC=CC1
InChIInChI=1S/C8H15NS/c9-6-3-7-10-8-4-1-2-5-8/h1-2,8H,3-7,9H2
InChIKeyXTSXRFAATROLRZ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.79
Rot. Bonds4

About 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine

3-cyclopent-3-en-1-ylsulfanylpropan-1-amine (PubChem CID 58684245) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopent-3-en-1-ylsulfanylpropan-1-amine
PubChem CID58684245
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-cyclopent-3-en-1-ylsulfanylpropan-1-amine
SMILESNCCCSC1CC=CC1
InChIInChI=1S/C8H15NS/c9-6-3-7-10-8-4-1-2-5-8/h1-2,8H,3-7,9H2
InChIKeyXTSXRFAATROLRZ-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(thiolan-2-ylidene)ethanamine
CID 14045338
(2Z)-2-(thiolan-2-ylidene)ethanamine
CID 14045339
2-Cyclohexa-1,3-dien-1-ylsulfanylethanamine
CID 20187847
2-(Thiolan-2-ylidene)ethanamine
CID 53752433
3-Cyclopent-2-en-1-ylsulfinylpropan-1-amine
CID 58684044
2-Cyclopent-2-en-1-ylsulfinylethanamine
CID 58684091
3-Cyclohex-3-en-1-ylsulfanylpropan-1-amine
CID 58684239
2-[(E)-pent-3-enyl]sulfanylethanamine
CID 58684285
2-Cyclohex-3-en-1-ylsulfinylethanamine
CID 58684372
2-Cyclopent-3-en-1-ylsulfinylethanamine
CID 58684426
2-[(E)-pent-3-en-2-yl]sulfanylethanamine
CID 58684441
2-Cyclohex-3-en-1-ylsulfanylethanamine
CID 58684471

Frequently Asked Questions

What is the IUPAC name of 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine?
The IUPAC name of 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine (CID 58684245) is 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine?
The canonical SMILES for 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine is NCCCSC1CC=CC1.
What is the InChIKey of 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine?
The InChIKey is XTSXRFAATROLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c9-6-3-7-10-8-4-1-2-5-8/h1-2,8H,3-7,9H2.
What are the key properties of 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine?
3-cyclopent-3-en-1-ylsulfanylpropan-1-amine has a molecular weight of 157.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-3-en-1-ylsulfanylpropan-1-amine is sourced from PubChem (CID 58684245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).