2-(2,2-dimethylpropylsulfanyl)pyridine

C10H15NS — CID 20674343

IUPAC2-(2,2-dimethylpropylsulfanyl)pyridine
SMILESCC(C)(C)CSc1ccccn1
InChIInChI=1S/C10H15NS/c1-10(2,3)8-12-9-6-4-5-7-11-9/h4-7H,8H2,1-3H3
InChIKeyNWDDYQRKTGBJFJ-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.22
Rot. Bonds2

About 2-(2,2-dimethylpropylsulfanyl)pyridine

2-(2,2-dimethylpropylsulfanyl)pyridine (PubChem CID 20674343) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)pyridine
PubChem CID20674343
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(2,2-dimethylpropylsulfanyl)pyridine
SMILESCC(C)(C)CSc1ccccn1
InChIInChI=1S/C10H15NS/c1-10(2,3)8-12-9-6-4-5-7-11-9/h4-7H,8H2,1-3H3
InChIKeyNWDDYQRKTGBJFJ-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
CID 64807637
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
2-(2,2-dimethylpropylsulfanyl)quinoxaline
CID 58689223
1-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylethanamine
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pyridin-2-ylsulfanylmethylboronic acid
CID 53216397
N-(pyridin-2-ylsulfanylmethyl)aniline
CID 154453727
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
CID 12657317
(2R)-2-methyl-2-pyridin-2-ylsulfanylbutanenitrile
CID 125486794
2-(2-methylbutan-2-yldisulfanyl)pyridine
CID 88916521
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfanyl)pyridine?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)pyridine (CID 20674343) is 2-(2,2-dimethylpropylsulfanyl)pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)pyridine?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)pyridine is CC(C)(C)CSc1ccccn1.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)pyridine?
The InChIKey is NWDDYQRKTGBJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-10(2,3)8-12-9-6-4-5-7-11-9/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)pyridine?
2-(2,2-dimethylpropylsulfanyl)pyridine has a molecular weight of 181.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)pyridine is sourced from PubChem (CID 20674343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).