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

C10H15ClN2O3S2 — CID 43590360

IUPAC[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-9(17-10(11)12-7)18(15,16)13-4-2-3-8(5-13)6-14/h8,14H,2-6H2,1H3
InChIKeyLPHPNWKPZRONQG-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.50
Rot. Bonds3

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

[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol (PubChem CID 43590360) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol
PubChem CID43590360
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-9(17-10(11)12-7)18(15,16)13-4-2-3-8(5-13)6-14/h8,14H,2-6H2,1H3
InChIKeyLPHPNWKPZRONQG-UHFFFAOYSA-N
XLogP1.50
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol (CID 43590360) is [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol is Cc1nc(Cl)sc1S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol?
The InChIKey is LPHPNWKPZRONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-7-9(17-10(11)12-7)18(15,16)13-4-2-3-8(5-13)6-14/h8,14H,2-6H2,1H3.
What are the key properties of [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol?
[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol has a molecular weight of 310.83 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).