N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine

C10H13NS — CID 164660839

IUPACN-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine
SMILESC1=CCC(CNc2ccsc2)C1
InChIInChI=1S/C10H13NS/c1-2-4-9(3-1)7-11-10-5-6-12-8-10/h1-2,5-6,8-9,11H,3-4,7H2
InChIKeyNEVKGCFGZZHLMZ-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.13
Rot. Bonds3

About N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine

N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine (PubChem CID 164660839) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine
PubChem CID164660839
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine
SMILESC1=CCC(CNc2ccsc2)C1
InChIInChI=1S/C10H13NS/c1-2-4-9(3-1)7-11-10-5-6-12-8-10/h1-2,5-6,8-9,11H,3-4,7H2
InChIKeyNEVKGCFGZZHLMZ-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.13
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 N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine?
The IUPAC name of N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine (CID 164660839) is N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine.
What is the SMILES notation for N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine?
The canonical SMILES for N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine is C1=CCC(CNc2ccsc2)C1.
What is the InChIKey of N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine?
The InChIKey is NEVKGCFGZZHLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-4-9(3-1)7-11-10-5-6-12-8-10/h1-2,5-6,8-9,11H,3-4,7H2.
What are the key properties of N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine?
N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine has a molecular weight of 179.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine is sourced from PubChem (CID 164660839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).