1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol

C15H20N4O3S — CID 167810469

IUPAC1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC(O)(c3cn[nH]n3)C2)c(C)c1
InChIInChI=1S/C15H20N4O3S/c1-11-4-5-13(12(2)8-11)23(21,22)19-7-3-6-15(20,10-19)14-9-16-18-17-14/h4-5,8-9,20H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyPQTBTWKCLBDPOW-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.09
Rot. Bonds3

About 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol

1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 167810469) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID167810469
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC(O)(c3cn[nH]n3)C2)c(C)c1
InChIInChI=1S/C15H20N4O3S/c1-11-4-5-13(12(2)8-11)23(21,22)19-7-3-6-15(20,10-19)14-9-16-18-17-14/h4-5,8-9,20H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyPQTBTWKCLBDPOW-UHFFFAOYSA-N
XLogP1.09
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128975128
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088188
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877
3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol
CID 131943679
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazepane
CID 86992431
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol (CID 167810469) is 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol is Cc1ccc(S(=O)(=O)N2CCCC(O)(c3cn[nH]n3)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is PQTBTWKCLBDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-4-5-13(12(2)8-11)23(21,22)19-7-3-6-15(20,10-19)14-9-16-18-17-14/h4-5,8-9,20H,3,6-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol?
1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol has a molecular weight of 336.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 167810469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).