1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol

C9H14N2O3S2 — CID 103847906

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
SMILESCc1ncc(S(=O)(=O)N2CCCC(O)C2)s1
InChIInChI=1S/C9H14N2O3S2/c1-7-10-5-9(15-7)16(13,14)11-4-2-3-8(12)6-11/h5,8,12H,2-4,6H2,1H3
InChIKeyDKDKCOSQFXEVJY-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.60
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol

1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol (PubChem CID 103847906) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
PubChem CID103847906
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
SMILESCc1ncc(S(=O)(=O)N2CCCC(O)C2)s1
InChIInChI=1S/C9H14N2O3S2/c1-7-10-5-9(15-7)16(13,14)11-4-2-3-8(12)6-11/h5,8,12H,2-4,6H2,1H3
InChIKeyDKDKCOSQFXEVJY-UHFFFAOYSA-N
XLogP0.60
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Hydroxy-4-iodobutyl)-1,3-thiazole-5-sulfonamide
CID 22406935
2-(1-Hydroxyhexyl)-5-thiazole sulfonamide
CID 22406946
2-(1-hydroxy-4-(N,N-dimethylamino)butyl)-5-thiazole sulfonamide
CID 22406968
2-(1-Hydroxy-1-cyclopropylmethyl)-5-thiazole sulfonamide
CID 22406979
N-(2-hydroxyethyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103847900
2-(1-Hydroxyethyl)-1,3-thiazole-5-sulfonamide
CID 137459279
2-[(1R)-1-hydroxyethyl]-1,3-thiazole-5-sulfonamide
CID 173862115
1-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol
CID 43455819
[1-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanol
CID 43455941
2-Chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455973
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
2-Chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-1,3-thiazole
CID 54990293

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol (CID 103847906) is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol is Cc1ncc(S(=O)(=O)N2CCCC(O)C2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The InChIKey is DKDKCOSQFXEVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-7-10-5-9(15-7)16(13,14)11-4-2-3-8(12)6-11/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol has a molecular weight of 262.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol is sourced from PubChem (CID 103847906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).