N-undecan-6-ylthiophen-3-amine

C15H27NS — CID 66351638

IUPACN-undecan-6-ylthiophen-3-amine
SMILESCCCCCC(CCCCC)Nc1ccsc1
InChIInChI=1S/C15H27NS/c1-3-5-7-9-14(10-8-6-4-2)16-15-11-12-17-13-15/h11-14,16H,3-10H2,1-2H3
InChIKeySZNWEHZYTFEMCD-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.69
Rot. Bonds10

About N-undecan-6-ylthiophen-3-amine

N-undecan-6-ylthiophen-3-amine (PubChem CID 66351638) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-undecan-6-ylthiophen-3-amine.

Molecular Properties

Compound NameN-undecan-6-ylthiophen-3-amine
PubChem CID66351638
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-undecan-6-ylthiophen-3-amine
SMILESCCCCCC(CCCCC)Nc1ccsc1
InChIInChI=1S/C15H27NS/c1-3-5-7-9-14(10-8-6-4-2)16-15-11-12-17-13-15/h11-14,16H,3-10H2,1-2H3
InChIKeySZNWEHZYTFEMCD-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-undecan-6-ylthiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-undecan-6-ylthiophen-3-amine?
The IUPAC name of N-undecan-6-ylthiophen-3-amine (CID 66351638) is N-undecan-6-ylthiophen-3-amine.
What is the SMILES notation for N-undecan-6-ylthiophen-3-amine?
The canonical SMILES for N-undecan-6-ylthiophen-3-amine is CCCCCC(CCCCC)Nc1ccsc1.
What is the InChIKey of N-undecan-6-ylthiophen-3-amine?
The InChIKey is SZNWEHZYTFEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-3-5-7-9-14(10-8-6-4-2)16-15-11-12-17-13-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-undecan-6-ylthiophen-3-amine?
N-undecan-6-ylthiophen-3-amine has a molecular weight of 253.45 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecan-6-ylthiophen-3-amine is sourced from PubChem (CID 66351638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).