(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol

C14H21NO3S — CID 107225038

IUPAC(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol
SMILESCC(CS(=O)(=O)N1CCC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-12(13-6-3-2-4-7-13)11-19(17,18)15-9-5-8-14(16)10-15/h2-4,6-7,12,14,16H,5,8-11H2,1H3/t12?,14-/m0/s1
InChIKeyIRIBZABFBBLSSP-PYMCNQPYSA-N
MW283.39 g/mol
LogP1.58
Rot. Bonds4

About (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol

(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol (PubChem CID 107225038) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol
PubChem CID107225038
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol
SMILESCC(CS(=O)(=O)N1CCC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-12(13-6-3-2-4-7-13)11-19(17,18)15-9-5-8-14(16)10-15/h2-4,6-7,12,14,16H,5,8-11H2,1H3/t12?,14-/m0/s1
InChIKeyIRIBZABFBBLSSP-PYMCNQPYSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-phenylpropylsulfonyl)pyrrolidin-3-yl]methanol
CID 80686704
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
1-(2-methylbutylsulfonyl)piperidin-3-ol
CID 111439844
1-[1-(2-phenylpropylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 80691435
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
(4aS,7aS)-6-(2-phenylpropylsulfonyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681105
3-methyl-1-(2-phenylpropylsulfonyl)azetidin-3-amine
CID 80687838
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol (CID 107225038) is (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol is CC(CS(=O)(=O)N1CCC[C@H](O)C1)c1ccccc1.
What is the InChIKey of (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol?
The InChIKey is IRIBZABFBBLSSP-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12(13-6-3-2-4-7-13)11-19(17,18)15-9-5-8-14(16)10-15/h2-4,6-7,12,14,16H,5,8-11H2,1H3/t12?,14-/m0/s1.
What are the key properties of (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol?
(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 107225038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).