[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol

C15H23NO3S2 — CID 102750275

IUPAC[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H23NO3S2/c1-11-10-20-13(9-17)14(11)21(18,19)16-7-5-12(6-8-16)15(2,3)4/h5,10,17H,6-9H2,1-4H3
InChIKeyWEQLZYSCZXTUHF-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.92
Rot. Bonds3

About [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol

[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol (PubChem CID 102750275) has the molecular formula C15H23NO3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol
PubChem CID102750275
Molecular FormulaC15H23NO3S2
Molecular Weight329.49 g/mol
Exact Mass329.11
IUPAC Name[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H23NO3S2/c1-11-10-20-13(9-17)14(11)21(18,19)16-7-5-12(6-8-16)15(2,3)4/h5,10,17H,6-9H2,1-4H3
InChIKeyWEQLZYSCZXTUHF-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol 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-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol?
The IUPAC name of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol (CID 102750275) is [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol.
What is the SMILES notation for [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol?
The canonical SMILES for [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol is Cc1csc(CO)c1S(=O)(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol?
The InChIKey is WEQLZYSCZXTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S2/c1-11-10-20-13(9-17)14(11)21(18,19)16-7-5-12(6-8-16)15(2,3)4/h5,10,17H,6-9H2,1-4H3.
What are the key properties of [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol?
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol has a molecular weight of 329.49 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol is sourced from PubChem (CID 102750275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).