N-cyclopent-3-en-1-ylthiolan-3-amine

C9H15NS — CID 115728360

IUPACN-cyclopent-3-en-1-ylthiolan-3-amine
SMILESC1=CCC(NC2CCSC2)C1
InChIInChI=1S/C9H15NS/c1-2-4-8(3-1)10-9-5-6-11-7-9/h1-2,8-10H,3-7H2
InChIKeyGJUGNLDPFIVMOD-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.80
Rot. Bonds2

About N-cyclopent-3-en-1-ylthiolan-3-amine

N-cyclopent-3-en-1-ylthiolan-3-amine (PubChem CID 115728360) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-cyclopent-3-en-1-ylthiolan-3-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-ylthiolan-3-amine
PubChem CID115728360
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-cyclopent-3-en-1-ylthiolan-3-amine
SMILESC1=CCC(NC2CCSC2)C1
InChIInChI=1S/C9H15NS/c1-2-4-8(3-1)10-9-5-6-11-7-9/h1-2,8-10H,3-7H2
InChIKeyGJUGNLDPFIVMOD-UHFFFAOYSA-N
XLogP1.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine
CID 116615780
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-octenyl)thiazolidine
CID 5352329
2-[(2E)-hexa-2,5-dienyl]-1,3-thiazolidine
CID 57204285
3,3a,4,5,6,7-hexahydro-2H-thieno[3,2-b]azepine
CID 68469906
3,3a,4,5-tetrahydro-2H-thieno[3,2-b]azepine
CID 68703920
2,2-Bis(prop-2-enyl)-1,3-thiazolidine
CID 70163327

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-ylthiolan-3-amine?
The IUPAC name of N-cyclopent-3-en-1-ylthiolan-3-amine (CID 115728360) is N-cyclopent-3-en-1-ylthiolan-3-amine.
What is the SMILES notation for N-cyclopent-3-en-1-ylthiolan-3-amine?
The canonical SMILES for N-cyclopent-3-en-1-ylthiolan-3-amine is C1=CCC(NC2CCSC2)C1.
What is the InChIKey of N-cyclopent-3-en-1-ylthiolan-3-amine?
The InChIKey is GJUGNLDPFIVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-4-8(3-1)10-9-5-6-11-7-9/h1-2,8-10H,3-7H2.
What are the key properties of N-cyclopent-3-en-1-ylthiolan-3-amine?
N-cyclopent-3-en-1-ylthiolan-3-amine has a molecular weight of 169.29 g/mol, XLogP of 1.80, 2 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-ylthiolan-3-amine is sourced from PubChem (CID 115728360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).