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

C7H13NS — CID 65353604

IUPAC(1-methylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCSC1(CN)CC=CC1
InChIInChI=1S/C7H13NS/c1-9-7(6-8)4-2-3-5-7/h2-3H,4-6,8H2,1H3
InChIKeyLNUMYUAKOQTTJT-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds2

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

(1-methylsulfanylcyclopent-3-en-1-yl)methanamine (PubChem CID 65353604) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (1-methylsulfanylcyclopent-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(1-methylsulfanylcyclopent-3-en-1-yl)methanamine
PubChem CID65353604
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(1-methylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCSC1(CN)CC=CC1
InChIInChI=1S/C7H13NS/c1-9-7(6-8)4-2-3-5-7/h2-3H,4-6,8H2,1H3
InChIKeyLNUMYUAKOQTTJT-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.40
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-methylsulfanylcyclopent-3-en-1-yl)methanamine?
The IUPAC name of (1-methylsulfanylcyclopent-3-en-1-yl)methanamine (CID 65353604) is (1-methylsulfanylcyclopent-3-en-1-yl)methanamine.
What is the SMILES notation for (1-methylsulfanylcyclopent-3-en-1-yl)methanamine?
The canonical SMILES for (1-methylsulfanylcyclopent-3-en-1-yl)methanamine is CSC1(CN)CC=CC1.
What is the InChIKey of (1-methylsulfanylcyclopent-3-en-1-yl)methanamine?
The InChIKey is LNUMYUAKOQTTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-9-7(6-8)4-2-3-5-7/h2-3H,4-6,8H2,1H3.
What are the key properties of (1-methylsulfanylcyclopent-3-en-1-yl)methanamine?
(1-methylsulfanylcyclopent-3-en-1-yl)methanamine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylcyclopent-3-en-1-yl)methanamine is sourced from PubChem (CID 65353604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).