1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol

C14H27NO3S — CID 79612659

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCCCCC2)C1
InChIInChI=1S/C14H27NO3S/c1-19(17,18)15-10-6-7-13(12-15)11-14(16)8-4-2-3-5-9-14/h13,16H,2-12H2,1H3
InChIKeyGGYFFYVUFAQXEG-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.13
Rot. Bonds3

About 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol

1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol (PubChem CID 79612659) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
PubChem CID79612659
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
SMILESCS(=O)(=O)N1CCCC(CC2(O)CCCCCC2)C1
InChIInChI=1S/C14H27NO3S/c1-19(17,18)15-10-6-7-13(12-15)11-14(16)8-4-2-3-5-9-14/h13,16H,2-12H2,1H3
InChIKeyGGYFFYVUFAQXEG-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol (CID 79612659) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol is CS(=O)(=O)N1CCCC(CC2(O)CCCCCC2)C1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is GGYFFYVUFAQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-19(17,18)15-10-6-7-13(12-15)11-14(16)8-4-2-3-5-9-14/h13,16H,2-12H2,1H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 2.13, 3 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)methyl]cycloheptan-1-ol is sourced from PubChem (CID 79612659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).