(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

C15H19FN4O2S — CID 94061095

IUPAC(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN4O2S/c1-19-11-17-18-15(19)13-3-2-8-20(9-13)23(21,22)10-12-4-6-14(16)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyDUPRTIPULUGKKK-ZDUSSCGKSA-N
MW338.41 g/mol
LogP1.66
Rot. Bonds4

About (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 94061095) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID94061095
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN4O2S/c1-19-11-17-18-15(19)13-3-2-8-20(9-13)23(21,22)10-12-4-6-14(16)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyDUPRTIPULUGKKK-ZDUSSCGKSA-N
XLogP1.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117810
1-[3-[(3R)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
CID 92623829
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-ylsulfonylpiperidine
CID 94159166
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
(3S)-3-methyl-1-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpiperidine
CID 94061099
3-(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfonyl]azepane
CID 121146377
3-(2,5-dimethylpyrrolidin-1-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 75526438
2-[(3R)-1-[(3,5-difluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626585
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
(3R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 51983555
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 94061095) is (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is DUPRTIPULUGKKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-19-11-17-18-15(19)13-3-2-8-20(9-13)23(21,22)10-12-4-6-14(16)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 338.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methylsulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 94061095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).