(1-ethylsulfanylcyclopent-3-en-1-yl)methanamine

C8H15NS — CID 65353605

IUPAC(1-ethylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCCSC1(CN)CC=CC1
InChIInChI=1S/C8H15NS/c1-2-10-8(7-9)5-3-4-6-8/h3-4H,2,5-7,9H2,1H3
InChIKeyVROVJWRKLVOWEW-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.79
Rot. Bonds3

About (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine

(1-ethylsulfanylcyclopent-3-en-1-yl)methanamine (PubChem CID 65353605) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(1-ethylsulfanylcyclopent-3-en-1-yl)methanamine
PubChem CID65353605
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(1-ethylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCCSC1(CN)CC=CC1
InChIInChI=1S/C8H15NS/c1-2-10-8(7-9)5-3-4-6-8/h3-4H,2,5-7,9H2,1H3
InChIKeyVROVJWRKLVOWEW-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine?
The IUPAC name of (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine (CID 65353605) is (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine.
What is the SMILES notation for (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine?
The canonical SMILES for (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine is CCSC1(CN)CC=CC1.
What is the InChIKey of (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine?
The InChIKey is VROVJWRKLVOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-10-8(7-9)5-3-4-6-8/h3-4H,2,5-7,9H2,1H3.
What are the key properties of (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine?
(1-ethylsulfanylcyclopent-3-en-1-yl)methanamine has a molecular weight of 157.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfanylcyclopent-3-en-1-yl)methanamine is sourced from PubChem (CID 65353605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).