2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine

C11H17NS — CID 158668941

IUPAC2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine
SMILESCCc1ccc(CSC(C)C)cn1
InChIInChI=1S/C11H17NS/c1-4-11-6-5-10(7-12-11)8-13-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyRVQZNBNPUSCPTM-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.29
Rot. Bonds4

About 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine

2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine (PubChem CID 158668941) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine
PubChem CID158668941
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine
SMILESCCc1ccc(CSC(C)C)cn1
InChIInChI=1S/C11H17NS/c1-4-11-6-5-10(7-12-11)8-13-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyRVQZNBNPUSCPTM-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine 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

2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
2-ethyl-5-propylpyridine
CID 23544341
5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62187525
1-(2-methylpropyl)-4-(propan-2-ylsulfanylmethyl)benzene
CID 147950088
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine
CID 102492089
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
6-ethyl-N-propan-2-ylpyridin-3-amine
CID 178080028
(1R)-1-(6-ethyl-3-pyridinyl)ethanamine
CID 124547255
2-ethyl-5-methylsulfanylpyridine
CID 19432957
1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79748150
N,N-dimethyl-5-propylpyridin-2-amine;2-ethyl-5-propylpyridine
CID 142247684

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine?
The IUPAC name of 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine (CID 158668941) is 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine?
The canonical SMILES for 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine is CCc1ccc(CSC(C)C)cn1.
What is the InChIKey of 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine?
The InChIKey is RVQZNBNPUSCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-11-6-5-10(7-12-11)8-13-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine?
2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine has a molecular weight of 195.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine is sourced from PubChem (CID 158668941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).