1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol

C8H11ClN2O3S2 — CID 43455819

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC(O)CC1
InChIInChI=1S/C8H11ClN2O3S2/c9-8-10-5-7(15-8)16(13,14)11-3-1-6(12)2-4-11/h5-6,12H,1-4H2
InChIKeyZMTYRBQUPZTXAQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol

1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol (PubChem CID 43455819) has the molecular formula C8H11ClN2O3S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol
PubChem CID43455819
Molecular FormulaC8H11ClN2O3S2
Molecular Weight282.77 g/mol
Exact Mass281.99
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC(O)CC1
InChIInChI=1S/C8H11ClN2O3S2/c9-8-10-5-7(15-8)16(13,14)11-3-1-6(12)2-4-11/h5-6,12H,1-4H2
InChIKeyZMTYRBQUPZTXAQ-UHFFFAOYSA-N
XLogP0.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol (CID 43455819) is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol is O=S(=O)(c1cnc(Cl)s1)N1CCC(O)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol?
The InChIKey is ZMTYRBQUPZTXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S2/c9-8-10-5-7(15-8)16(13,14)11-3-1-6(12)2-4-11/h5-6,12H,1-4H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol?
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol has a molecular weight of 282.77 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol is sourced from PubChem (CID 43455819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).