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

C9H17NS — CID 65353657

IUPAC(1-propylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCCCSC1(CN)CC=CC1
InChIInChI=1S/C9H17NS/c1-2-7-11-9(8-10)5-3-4-6-9/h3-4H,2,5-8,10H2,1H3
InChIKeyNGSXBVZZCYUWHU-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.18
Rot. Bonds4

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

(1-propylsulfanylcyclopent-3-en-1-yl)methanamine (PubChem CID 65353657) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (1-propylsulfanylcyclopent-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(1-propylsulfanylcyclopent-3-en-1-yl)methanamine
PubChem CID65353657
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(1-propylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCCCSC1(CN)CC=CC1
InChIInChI=1S/C9H17NS/c1-2-7-11-9(8-10)5-3-4-6-9/h3-4H,2,5-8,10H2,1H3
InChIKeyNGSXBVZZCYUWHU-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.18
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-propylsulfanylcyclopent-3-en-1-yl)methanamine?
The IUPAC name of (1-propylsulfanylcyclopent-3-en-1-yl)methanamine (CID 65353657) is (1-propylsulfanylcyclopent-3-en-1-yl)methanamine.
What is the SMILES notation for (1-propylsulfanylcyclopent-3-en-1-yl)methanamine?
The canonical SMILES for (1-propylsulfanylcyclopent-3-en-1-yl)methanamine is CCCSC1(CN)CC=CC1.
What is the InChIKey of (1-propylsulfanylcyclopent-3-en-1-yl)methanamine?
The InChIKey is NGSXBVZZCYUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-7-11-9(8-10)5-3-4-6-9/h3-4H,2,5-8,10H2,1H3.
What are the key properties of (1-propylsulfanylcyclopent-3-en-1-yl)methanamine?
(1-propylsulfanylcyclopent-3-en-1-yl)methanamine has a molecular weight of 171.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfanylcyclopent-3-en-1-yl)methanamine is sourced from PubChem (CID 65353657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).