4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol

C13H26N2O3S — CID 107407145

IUPAC4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol
SMILESCC1CCCN(S(=O)(=O)N2CCCC(C)(O)CC2)C1
InChIInChI=1S/C13H26N2O3S/c1-12-5-3-8-15(11-12)19(17,18)14-9-4-6-13(2,16)7-10-14/h12,16H,3-11H2,1-2H3
InChIKeyZEHYTUXAEIPVID-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.20
Rot. Bonds2

About 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol

4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol (PubChem CID 107407145) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol
PubChem CID107407145
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol
SMILESCC1CCCN(S(=O)(=O)N2CCCC(C)(O)CC2)C1
InChIInChI=1S/C13H26N2O3S/c1-12-5-3-8-15(11-12)19(17,18)14-9-4-6-13(2,16)7-10-14/h12,16H,3-11H2,1-2H3
InChIKeyZEHYTUXAEIPVID-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol?
The IUPAC name of 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol (CID 107407145) is 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol?
The canonical SMILES for 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol is CC1CCCN(S(=O)(=O)N2CCCC(C)(O)CC2)C1.
What is the InChIKey of 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol?
The InChIKey is ZEHYTUXAEIPVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12-5-3-8-15(11-12)19(17,18)14-9-4-6-13(2,16)7-10-14/h12,16H,3-11H2,1-2H3.
What are the key properties of 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol?
4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol has a molecular weight of 290.43 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol is sourced from PubChem (CID 107407145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).