4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol

C12H25NO3S — CID 164636611

IUPAC4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol
SMILESCC[C@H](C)CS(=O)(=O)N1CCC(O)(CC)CC1
InChIInChI=1S/C12H25NO3S/c1-4-11(3)10-17(15,16)13-8-6-12(14,5-2)7-9-13/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyHSTNBXYCDLKNAY-NSHDSACASA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds5

About 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol

4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol (PubChem CID 164636611) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol
PubChem CID164636611
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol
SMILESCC[C@H](C)CS(=O)(=O)N1CCC(O)(CC)CC1
InChIInChI=1S/C12H25NO3S/c1-4-11(3)10-17(15,16)13-8-6-12(14,5-2)7-9-13/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyHSTNBXYCDLKNAY-NSHDSACASA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-Dimethylpropylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 136540392
4-Methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
CID 83058232
1-Propylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109886326
1-Butylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109886352
1-(3,3-Dimethylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109886355
1-Ethylsulfonyl-4-(trifluoromethyl)piperidin-4-ol
CID 109917898
1-(3-Methylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917910
1-(2-Methylpentylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917911
1-(2-Methylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917920
1-(2-Ethylbutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109917921
1-(2-Cyclopropylethylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109942969
1-(Cyclobutylmethylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109948365

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol?
The IUPAC name of 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol (CID 164636611) is 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol is CC[C@H](C)CS(=O)(=O)N1CCC(O)(CC)CC1.
What is the InChIKey of 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol?
The InChIKey is HSTNBXYCDLKNAY-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-11(3)10-17(15,16)13-8-6-12(14,5-2)7-9-13/h11,14H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol?
4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol has a molecular weight of 263.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 164636611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).