(3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C13H23FN4O2S — CID 97334925

IUPAC(3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C13H23FN4O2S/c1-11(2)18-10-15-16-13(18)12-5-3-7-17(9-12)21(19,20)8-4-6-14/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyQKMUGIPAVQQNEZ-GFCCVEGCSA-N
MW318.42 g/mol
LogP1.73
Rot. Bonds6

About (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

(3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 97334925) has the molecular formula C13H23FN4O2S and a molecular weight of 318.42 g/mol. Its IUPAC name is (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID97334925
Molecular FormulaC13H23FN4O2S
Molecular Weight318.42 g/mol
Exact Mass318.15
IUPAC Name(3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C13H23FN4O2S/c1-11(2)18-10-15-16-13(18)12-5-3-7-17(9-12)21(19,20)8-4-6-14/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyQKMUGIPAVQQNEZ-GFCCVEGCSA-N
XLogP1.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methylsulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 47034021
3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53623463
1-(3-Methylbutylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 75443725
1-(3-Fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 75443726
4-[3-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbutanenitrile
CID 75443727
1-(Cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 84599406
3-[(1-Ethylsulfonylpyrrolidin-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 110196056
3-(5-Ethylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine
CID 6489397
1-(butylsulfonyl)-4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70725518
2-[4-(Cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine
CID 87052215
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-(cyclopropylsulfonyl)piperidine
CID 87052219
3-Methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpiperidine
CID 53506091

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 97334925) is (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCF)C1.
What is the InChIKey of (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QKMUGIPAVQQNEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23FN4O2S/c1-11(2)18-10-15-16-13(18)12-5-3-7-17(9-12)21(19,20)8-4-6-14/h10-12H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
(3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 318.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoropropylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 97334925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).