1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol

C16H33NO3S — CID 115820309

IUPAC1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
SMILESCCCCCCCCC(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H33NO3S/c1-3-4-5-6-7-8-11-16(18)13-15-10-9-12-17(14-15)21(2,19)20/h15-16,18H,3-14H2,1-2H3
InChIKeyFPIGHMRDHJGQPZ-UHFFFAOYSA-N
MW319.51 g/mol
LogP3.16
Rot. Bonds10

About 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol

1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol (PubChem CID 115820309) has the molecular formula C16H33NO3S and a molecular weight of 319.51 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
PubChem CID115820309
Molecular FormulaC16H33NO3S
Molecular Weight319.51 g/mol
Exact Mass319.22
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
SMILESCCCCCCCCC(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H33NO3S/c1-3-4-5-6-7-8-11-16(18)13-15-10-9-12-17(14-15)21(2,19)20/h15-16,18H,3-14H2,1-2H3
InChIKeyFPIGHMRDHJGQPZ-UHFFFAOYSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(2-methylpropylsulfanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609309
1-cycloheptyloctan-2-ol
CID 115783533
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116711480
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 115820314
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol (CID 115820309) is 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol is CCCCCCCCC(O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol?
The InChIKey is FPIGHMRDHJGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3S/c1-3-4-5-6-7-8-11-16(18)13-15-10-9-12-17(14-15)21(2,19)20/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol?
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol has a molecular weight of 319.51 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol is sourced from PubChem (CID 115820309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).