2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile

C10H17NS — CID 22150011

IUPAC2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile
SMILESCC(C)C1CCC(C)(CC#N)S1
InChIInChI=1S/C10H17NS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9H,4-6H2,1-3H3
InChIKeyYLCHOCPEUGGZRU-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.21
Rot. Bonds2

About 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile

2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile (PubChem CID 22150011) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile
PubChem CID22150011
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile
SMILESCC(C)C1CCC(C)(CC#N)S1
InChIInChI=1S/C10H17NS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9H,4-6H2,1-3H3
InChIKeyYLCHOCPEUGGZRU-UHFFFAOYSA-N
XLogP3.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile 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 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile (CID 22150011) is 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile is CC(C)C1CCC(C)(CC#N)S1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile?
The InChIKey is YLCHOCPEUGGZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9H,4-6H2,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile?
2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile has a molecular weight of 183.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylthiolan-2-yl)acetonitrile is sourced from PubChem (CID 22150011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).