3-[(S)-tert-butylsulfinyl]pyridine

C9H13NOS — CID 11644037

IUPAC3-[(S)-tert-butylsulfinyl]pyridine
SMILESCC(C)(C)[S@](=O)c1cccnc1
InChIInChI=1S/C9H13NOS/c1-9(2,3)12(11)8-5-4-6-10-7-8/h4-7H,1-3H3/t12-/m1/s1
InChIKeyVIUAOPSBHVPWDK-GFCCVEGCSA-N
MW183.28 g/mol
LogP1.99
Rot. Bonds1

About 3-[(S)-tert-butylsulfinyl]pyridine

3-[(S)-tert-butylsulfinyl]pyridine (PubChem CID 11644037) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-[(S)-tert-butylsulfinyl]pyridine.

Molecular Properties

Compound Name3-[(S)-tert-butylsulfinyl]pyridine
PubChem CID11644037
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-[(S)-tert-butylsulfinyl]pyridine
SMILESCC(C)(C)[S@](=O)c1cccnc1
InChIInChI=1S/C9H13NOS/c1-9(2,3)12(11)8-5-4-6-10-7-8/h4-7H,1-3H3/t12-/m1/s1
InChIKeyVIUAOPSBHVPWDK-GFCCVEGCSA-N
XLogP1.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(S)-tert-butylsulfinyl]pyridine 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 3-[(S)-tert-butylsulfinyl]pyridine?
The IUPAC name of 3-[(S)-tert-butylsulfinyl]pyridine (CID 11644037) is 3-[(S)-tert-butylsulfinyl]pyridine.
What is the SMILES notation for 3-[(S)-tert-butylsulfinyl]pyridine?
The canonical SMILES for 3-[(S)-tert-butylsulfinyl]pyridine is CC(C)(C)[S@](=O)c1cccnc1.
What is the InChIKey of 3-[(S)-tert-butylsulfinyl]pyridine?
The InChIKey is VIUAOPSBHVPWDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2,3)12(11)8-5-4-6-10-7-8/h4-7H,1-3H3/t12-/m1/s1.
What are the key properties of 3-[(S)-tert-butylsulfinyl]pyridine?
3-[(S)-tert-butylsulfinyl]pyridine has a molecular weight of 183.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-tert-butylsulfinyl]pyridine is sourced from PubChem (CID 11644037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).