1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol

C13H16N2O3S2 — CID 154883454

IUPAC1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol
SMILESCS(=O)(=O)c1cccc2sc(N3CCCC(O)C3)nc12
InChIInChI=1S/C13H16N2O3S2/c1-20(17,18)11-6-2-5-10-12(11)14-13(19-10)15-7-3-4-9(16)8-15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyBODQEBJJPBOROG-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.66
Rot. Bonds2

About 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol

1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol (PubChem CID 154883454) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol
PubChem CID154883454
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol
SMILESCS(=O)(=O)c1cccc2sc(N3CCCC(O)C3)nc12
InChIInChI=1S/C13H16N2O3S2/c1-20(17,18)11-6-2-5-10-12(11)14-13(19-10)15-7-3-4-9(16)8-15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyBODQEBJJPBOROG-UHFFFAOYSA-N
XLogP1.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol 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-tert-butyl-1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 165435183
(4,4-difluoropiperidin-1-yl)-[1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 163358025
1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol
CID 171324124
[1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354836
4-methylsulfanyl-2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941483
[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16829054
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methylsulfonyl-1,3-benzothiazole
CID 16941511
S-[2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate
CID 16949265
(3-methyl-1,2-oxazol-5-yl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16879946
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-4-methylsulfonyl-1,3-benzothiazole
CID 163346496
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 172900683
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-3-ol
CID 47015654

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol?
The IUPAC name of 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol (CID 154883454) is 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol?
The canonical SMILES for 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol is CS(=O)(=O)c1cccc2sc(N3CCCC(O)C3)nc12.
What is the InChIKey of 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol?
The InChIKey is BODQEBJJPBOROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-20(17,18)11-6-2-5-10-12(11)14-13(19-10)15-7-3-4-9(16)8-15/h2,5-6,9,16H,3-4,7-8H2,1H3.
What are the key properties of 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol?
1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol has a molecular weight of 312.42 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol is sourced from PubChem (CID 154883454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).