(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol

C15H27N3O3S — CID 97245691

IUPAC(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C15H27N3O3S/c1-5-12-15(13(6-2)17(4)16-12)22(20,21)18-10-8-7-9-14(18)11(3)19/h11,14,19H,5-10H2,1-4H3/t11-,14+/m1/s1
InChIKeyQBSIZWIPLFEVJN-RISCZKNCSA-N
MW329.47 g/mol
LogP1.47
Rot. Bonds5

About (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol

(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 97245691) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
PubChem CID97245691
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C15H27N3O3S/c1-5-12-15(13(6-2)17(4)16-12)22(20,21)18-10-8-7-9-14(18)11(3)19/h11,14,19H,5-10H2,1-4H3/t11-,14+/m1/s1
InChIKeyQBSIZWIPLFEVJN-RISCZKNCSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide
CID 75454035
1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 63255037
[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129002000
1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 84590364
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CID 98853522
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75496307
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128993133
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide
CID 154789620
N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55256669

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol (CID 97245691) is (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol is CCc1nn(C)c(CC)c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)O.
What is the InChIKey of (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is QBSIZWIPLFEVJN-RISCZKNCSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-5-12-15(13(6-2)17(4)16-12)22(20,21)18-10-8-7-9-14(18)11(3)19/h11,14,19H,5-10H2,1-4H3/t11-,14+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol?
(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 329.47 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 97245691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).