ethane;2-(2-methylbutylsulfanyl)pyridine

C12H21NS — CID 90957639

IUPACethane;2-(2-methylbutylsulfanyl)pyridine
SMILESCC.CCC(C)CSc1ccccn1
InChIInChI=1S/C10H15NS.C2H6/c1-3-9(2)8-12-10-6-4-5-7-11-10;1-2/h4-7,9H,3,8H2,1-2H3;1-2H3
InChIKeyZBVPJXLCMMSGMT-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.25
Rot. Bonds4

About ethane;2-(2-methylbutylsulfanyl)pyridine

ethane;2-(2-methylbutylsulfanyl)pyridine (PubChem CID 90957639) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is ethane;2-(2-methylbutylsulfanyl)pyridine.

Molecular Properties

Compound Nameethane;2-(2-methylbutylsulfanyl)pyridine
PubChem CID90957639
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Nameethane;2-(2-methylbutylsulfanyl)pyridine
SMILESCC.CCC(C)CSc1ccccn1
InChIInChI=1S/C10H15NS.C2H6/c1-3-9(2)8-12-10-6-4-5-7-11-10;1-2/h4-7,9H,3,8H2,1-2H3;1-2H3
InChIKeyZBVPJXLCMMSGMT-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-(2-methylbutylsulfanyl)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

N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
CID 12657317
2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile
CID 103747842
1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43166370
1-[6-(2-methylbutylsulfanyl)-3-pyridinyl]ethanone
CID 107750473
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
CID 107511293
(2R,3R)-4-pyridin-2-ylsulfanylbutane-1,2,3-triol
CID 69497472
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095623

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylbutylsulfanyl)pyridine?
The IUPAC name of ethane;2-(2-methylbutylsulfanyl)pyridine (CID 90957639) is ethane;2-(2-methylbutylsulfanyl)pyridine.
What is the SMILES notation for ethane;2-(2-methylbutylsulfanyl)pyridine?
The canonical SMILES for ethane;2-(2-methylbutylsulfanyl)pyridine is CC.CCC(C)CSc1ccccn1.
What is the InChIKey of ethane;2-(2-methylbutylsulfanyl)pyridine?
The InChIKey is ZBVPJXLCMMSGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.C2H6/c1-3-9(2)8-12-10-6-4-5-7-11-10;1-2/h4-7,9H,3,8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-methylbutylsulfanyl)pyridine?
ethane;2-(2-methylbutylsulfanyl)pyridine has a molecular weight of 211.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylbutylsulfanyl)pyridine is sourced from PubChem (CID 90957639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).