(3S)-1-methylsulfonylpiperidin-3-ol

C6H13NO3S — CID 51698302

IUPAC(3S)-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZRWNGUJVDUBGFQ-LURJTMIESA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds1

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

(3S)-1-methylsulfonylpiperidin-3-ol (PubChem CID 51698302) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3S)-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-methylsulfonylpiperidin-3-ol
PubChem CID51698302
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(3S)-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZRWNGUJVDUBGFQ-LURJTMIESA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-methylsulfonylpiperidin-3-ol (CID 51698302) is (3S)-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-methylsulfonylpiperidin-3-ol?
The InChIKey is ZRWNGUJVDUBGFQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-1-methylsulfonylpiperidin-3-ol?
(3S)-1-methylsulfonylpiperidin-3-ol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 51698302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).