[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol

C14H20N4O3S2 — CID 31191778

IUPAC[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCC(n3cc(CO)nn3)CC2)c(C)s1
InChIInChI=1S/C14H20N4O3S2/c1-10-7-14(11(2)22-10)23(20,21)17-5-3-13(4-6-17)18-8-12(9-19)15-16-18/h7-8,13,19H,3-6,9H2,1-2H3
InChIKeyMWKLROYIHYGJQK-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.47
Rot. Bonds4

About [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol

[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol (PubChem CID 31191778) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
PubChem CID31191778
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCC(n3cc(CO)nn3)CC2)c(C)s1
InChIInChI=1S/C14H20N4O3S2/c1-10-7-14(11(2)22-10)23(20,21)17-5-3-13(4-6-17)18-8-12(9-19)15-16-18/h7-8,13,19H,3-6,9H2,1-2H3
InChIKeyMWKLROYIHYGJQK-UHFFFAOYSA-N
XLogP1.47
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol (CID 31191778) is [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol is Cc1cc(S(=O)(=O)N2CCC(n3cc(CO)nn3)CC2)c(C)s1.
What is the InChIKey of [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol?
The InChIKey is MWKLROYIHYGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-10-7-14(11(2)22-10)23(20,21)17-5-3-13(4-6-17)18-8-12(9-19)15-16-18/h7-8,13,19H,3-6,9H2,1-2H3.
What are the key properties of [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol?
[1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]triazol-4-yl]methanol is sourced from PubChem (CID 31191778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).