1-piperidin-1-ylsulfonylpropan-2-ol

C8H17NO3S — CID 119056772

IUPAC1-piperidin-1-ylsulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h8,10H,2-7H2,1H3
InChIKeyJWWGNDPGRSMGTH-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds3

About 1-piperidin-1-ylsulfonylpropan-2-ol

1-piperidin-1-ylsulfonylpropan-2-ol (PubChem CID 119056772) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonylpropan-2-ol
PubChem CID119056772
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-piperidin-1-ylsulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h8,10H,2-7H2,1H3
InChIKeyJWWGNDPGRSMGTH-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22272981
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1-(1-Methoxypropan-2-ylsulfonyl)piperidine
CID 132282815
1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-ol
CID 83059562
1,1,1-Trifluoro-4-piperidin-1-ylsulfonylbutan-2-ol
CID 101759380
2-[(4-Fluoropiperidin-1-yl)sulfonyl]ethan-1-ol
CID 164659335
2-(3-Fluoro-2-hydroxypropyl)-6-methyl-1lambda6,2-thiazinane-1,1-dione
CID 165587292
2-Hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid
CID 11816931
Propan-2-yl 2-piperidin-1-ylethanesulfonate
CID 12260011
3-(Piperidin-1-ylsulfonyl)propan-1-ol
CID 28344976
1-(Ethanesulfonyl)piperidin-4-ol
CID 28345233
1-Propylsulfonylpiperidin-4-ol
CID 28345234

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonylpropan-2-ol?
The IUPAC name of 1-piperidin-1-ylsulfonylpropan-2-ol (CID 119056772) is 1-piperidin-1-ylsulfonylpropan-2-ol.
What is the SMILES notation for 1-piperidin-1-ylsulfonylpropan-2-ol?
The canonical SMILES for 1-piperidin-1-ylsulfonylpropan-2-ol is CC(O)CS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylsulfonylpropan-2-ol?
The InChIKey is JWWGNDPGRSMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-piperidin-1-ylsulfonylpropan-2-ol?
1-piperidin-1-ylsulfonylpropan-2-ol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonylpropan-2-ol is sourced from PubChem (CID 119056772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).