(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine

C10H17NS — CID 144594778

IUPAC(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCS[C@@H]1N=CC=C(C(C)C)[C@@H]1C
InChIInChI=1S/C10H17NS/c1-7(2)9-5-6-11-10(12-4)8(9)3/h5-8,10H,1-4H3/t8-,10-/m0/s1
InChIKeyJSXGGUMTPCELEN-WPRPVWTQSA-N
MW183.32 g/mol
LogP2.98
Rot. Bonds2

About (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine

(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine (PubChem CID 144594778) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine
PubChem CID144594778
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCS[C@@H]1N=CC=C(C(C)C)[C@@H]1C
InChIInChI=1S/C10H17NS/c1-7(2)9-5-6-11-10(12-4)8(9)3/h5-8,10H,1-4H3/t8-,10-/m0/s1
InChIKeyJSXGGUMTPCELEN-WPRPVWTQSA-N
XLogP2.98
TPSA12.36 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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
CID 58332186
Ethane;2-ethenylsulfanyl-3-prop-2-enyl-2,3-dihydropyridine
CID 144172000
(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
CID 167221524
2-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
CID 67100455
2-Ethenylsulfanyl-3-prop-2-enyl-2,3-dihydropyridine
CID 144172001

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine (CID 144594778) is (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine is CS[C@@H]1N=CC=C(C(C)C)[C@@H]1C.
What is the InChIKey of (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine?
The InChIKey is JSXGGUMTPCELEN-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)9-5-6-11-10(12-4)8(9)3/h5-8,10H,1-4H3/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine?
(2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine has a molecular weight of 183.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-methylsulfanyl-4-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 144594778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).