12-aminododec-1-ene-1-thiol

C12H25NS — CID 142758761

IUPAC12-aminododec-1-ene-1-thiol
SMILESNCCCCCCCCCCC=CS
InChIInChI=1S/C12H25NS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h10,12,14H,1-9,11,13H2
InChIKeyGAKKZBDWHHBDPN-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.90
Rot. Bonds10

About 12-aminododec-1-ene-1-thiol

12-aminododec-1-ene-1-thiol (PubChem CID 142758761) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 12-aminododec-1-ene-1-thiol.

Molecular Properties

Compound Name12-aminododec-1-ene-1-thiol
PubChem CID142758761
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name12-aminododec-1-ene-1-thiol
SMILESNCCCCCCCCCCC=CS
InChIInChI=1S/C12H25NS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h10,12,14H,1-9,11,13H2
InChIKeyGAKKZBDWHHBDPN-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 12-aminododec-1-ene-1-thiol 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 12-aminododec-1-ene-1-thiol?
The IUPAC name of 12-aminododec-1-ene-1-thiol (CID 142758761) is 12-aminododec-1-ene-1-thiol.
What is the SMILES notation for 12-aminododec-1-ene-1-thiol?
The canonical SMILES for 12-aminododec-1-ene-1-thiol is NCCCCCCCCCCC=CS.
What is the InChIKey of 12-aminododec-1-ene-1-thiol?
The InChIKey is GAKKZBDWHHBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h10,12,14H,1-9,11,13H2.
What are the key properties of 12-aminododec-1-ene-1-thiol?
12-aminododec-1-ene-1-thiol has a molecular weight of 215.41 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-aminododec-1-ene-1-thiol is sourced from PubChem (CID 142758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).