3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile

C8H13NS — CID 65131177

IUPAC3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCSC1(C#N)CC(C)(C)C1
InChIInChI=1S/C8H13NS/c1-7(2)4-8(5-7,6-9)10-3/h4-5H2,1-3H3
InChIKeyTXPMNBCMQKGGHI-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.43
Rot. Bonds1

About 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile

3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile (PubChem CID 65131177) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile
PubChem CID65131177
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile
SMILESCSC1(C#N)CC(C)(C)C1
InChIInChI=1S/C8H13NS/c1-7(2)4-8(5-7,6-9)10-3/h4-5H2,1-3H3
InChIKeyTXPMNBCMQKGGHI-UHFFFAOYSA-N
XLogP2.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile 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 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The IUPAC name of 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile (CID 65131177) is 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The canonical SMILES for 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile is CSC1(C#N)CC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
The InChIKey is TXPMNBCMQKGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(2)4-8(5-7,6-9)10-3/h4-5H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile?
3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile has a molecular weight of 155.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-methylsulfanylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65131177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).