4-methyl-4-methylsulfanylazepine

C8H11NS — CID 138721240

IUPAC4-methyl-4-methylsulfanylazepine
SMILESCSC1(C)C=CC=NC=C1
InChIInChI=1S/C8H11NS/c1-8(10-2)4-3-6-9-7-5-8/h3-7H,1-2H3
InChIKeyPLWLQLMLOIAEMC-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.26
Rot. Bonds1

About 4-methyl-4-methylsulfanylazepine

4-methyl-4-methylsulfanylazepine (PubChem CID 138721240) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-methyl-4-methylsulfanylazepine.

Molecular Properties

Compound Name4-methyl-4-methylsulfanylazepine
PubChem CID138721240
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-methyl-4-methylsulfanylazepine
SMILESCSC1(C)C=CC=NC=C1
InChIInChI=1S/C8H11NS/c1-8(10-2)4-3-6-9-7-5-8/h3-7H,1-2H3
InChIKeyPLWLQLMLOIAEMC-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-methylsulfanylazepine with MolForge

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

Launch Full Analysis

Related Compounds

CID 19766156
CID 19766156
CID 123644316
CID 123644316
CID 141801859
CID 141801859
CID 141864707
CID 141864707
CID 141955722
CID 141955722
CID 142217342
CID 142217342
CID 142363123
CID 142363123
CID 142497794
CID 142497794
CID 143885496
CID 143885496
CID 143891117
CID 143891117
CID 144617439
CID 144617439
CID 153735059
CID 153735059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-methylsulfanylazepine?
The IUPAC name of 4-methyl-4-methylsulfanylazepine (CID 138721240) is 4-methyl-4-methylsulfanylazepine.
What is the SMILES notation for 4-methyl-4-methylsulfanylazepine?
The canonical SMILES for 4-methyl-4-methylsulfanylazepine is CSC1(C)C=CC=NC=C1.
What is the InChIKey of 4-methyl-4-methylsulfanylazepine?
The InChIKey is PLWLQLMLOIAEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-8(10-2)4-3-6-9-7-5-8/h3-7H,1-2H3.
What are the key properties of 4-methyl-4-methylsulfanylazepine?
4-methyl-4-methylsulfanylazepine has a molecular weight of 153.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-methylsulfanylazepine is sourced from PubChem (CID 138721240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).