N-(8-methylsulfanyloctyl)thiophen-3-amine

C13H23NS2 — CID 57222885

IUPACN-(8-methylsulfanyloctyl)thiophen-3-amine
SMILESCSCCCCCCCCNc1ccsc1
InChIInChI=1S/C13H23NS2/c1-15-10-7-5-3-2-4-6-9-14-13-8-11-16-12-13/h8,11-12,14H,2-7,9-10H2,1H3
InChIKeyXYBITFTUSHLOOE-UHFFFAOYSA-N
MW257.47 g/mol
LogP4.86
Rot. Bonds10

About N-(8-methylsulfanyloctyl)thiophen-3-amine

N-(8-methylsulfanyloctyl)thiophen-3-amine (PubChem CID 57222885) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-(8-methylsulfanyloctyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(8-methylsulfanyloctyl)thiophen-3-amine
PubChem CID57222885
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC NameN-(8-methylsulfanyloctyl)thiophen-3-amine
SMILESCSCCCCCCCCNc1ccsc1
InChIInChI=1S/C13H23NS2/c1-15-10-7-5-3-2-4-6-9-14-13-8-11-16-12-13/h8,11-12,14H,2-7,9-10H2,1H3
InChIKeyXYBITFTUSHLOOE-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-methylsulfanyloctyl)thiophen-3-amine?
The IUPAC name of N-(8-methylsulfanyloctyl)thiophen-3-amine (CID 57222885) is N-(8-methylsulfanyloctyl)thiophen-3-amine.
What is the SMILES notation for N-(8-methylsulfanyloctyl)thiophen-3-amine?
The canonical SMILES for N-(8-methylsulfanyloctyl)thiophen-3-amine is CSCCCCCCCCNc1ccsc1.
What is the InChIKey of N-(8-methylsulfanyloctyl)thiophen-3-amine?
The InChIKey is XYBITFTUSHLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-15-10-7-5-3-2-4-6-9-14-13-8-11-16-12-13/h8,11-12,14H,2-7,9-10H2,1H3.
What are the key properties of N-(8-methylsulfanyloctyl)thiophen-3-amine?
N-(8-methylsulfanyloctyl)thiophen-3-amine has a molecular weight of 257.47 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylsulfanyloctyl)thiophen-3-amine is sourced from PubChem (CID 57222885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).