(3S)-1-benzylsulfonylpiperidin-3-ol

C12H17NO3S — CID 92966032

IUPAC(3S)-1-benzylsulfonylpiperidin-3-ol
SMILESO=S(=O)(Cc1ccccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H17NO3S/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKeyHYJBASSVRMHRTG-LBPRGKRZSA-N
MW255.34 g/mol
LogP0.97
Rot. Bonds3

About (3S)-1-benzylsulfonylpiperidin-3-ol

(3S)-1-benzylsulfonylpiperidin-3-ol (PubChem CID 92966032) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (3S)-1-benzylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-benzylsulfonylpiperidin-3-ol
PubChem CID92966032
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(3S)-1-benzylsulfonylpiperidin-3-ol
SMILESO=S(=O)(Cc1ccccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H17NO3S/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKeyHYJBASSVRMHRTG-LBPRGKRZSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(aminomethyl)phenyl]methylsulfonyl]piperidin-3-ol
CID 54885391
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine
CID 25384275
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol
CID 107225038
1,5,9-tris(benzylsulfonyl)-3-(chloromethyl)-1,5,9-triazacyclododecane
CID 140984161
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzylsulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-benzylsulfonylpiperidin-3-ol (CID 92966032) is (3S)-1-benzylsulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-benzylsulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-benzylsulfonylpiperidin-3-ol is O=S(=O)(Cc1ccccc1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-benzylsulfonylpiperidin-3-ol?
The InChIKey is HYJBASSVRMHRTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1.
What are the key properties of (3S)-1-benzylsulfonylpiperidin-3-ol?
(3S)-1-benzylsulfonylpiperidin-3-ol has a molecular weight of 255.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzylsulfonylpiperidin-3-ol is sourced from PubChem (CID 92966032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).