4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol

C13H26N2O3S — CID 107407021

IUPAC4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol
SMILESCC1CCCCN1S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C13H26N2O3S/c1-12-6-3-4-10-15(12)19(17,18)14-9-5-7-13(2,16)8-11-14/h12,16H,3-11H2,1-2H3
InChIKeyFPXCZJJNZAVFMV-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.34
Rot. Bonds2

About 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol

4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol (PubChem CID 107407021) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol
PubChem CID107407021
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol
SMILESCC1CCCCN1S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C13H26N2O3S/c1-12-6-3-4-10-15(12)19(17,18)14-9-5-7-13(2,16)8-11-14/h12,16H,3-11H2,1-2H3
InChIKeyFPXCZJJNZAVFMV-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-hydroxy-N,4-dimethylpiperidine-1-sulfonamide
CID 81103343
1-(Azepan-1-ylsulfonyl)-4-methylpiperidin-4-ol
CID 81103432
4-hydroxy-N,4-dimethyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 81103780
4-Hydroxy-4-methylazepane-1-sulfonamide
CID 107406904
4-Methyl-1-(4-methylpiperidin-1-yl)sulfonylazepan-4-ol
CID 107406910
N-cyclohexyl-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107406915
1-(Azepan-1-ylsulfonyl)-4-methylazepan-4-ol
CID 107406981
4-Methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide
CID 107407107
4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107407112
4-hydroxy-N,N,4-trimethylazepane-1-sulfonamide
CID 107407129
4-Methyl-1-(3-methylpiperidin-1-yl)sulfonylazepan-4-ol
CID 107407145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol?
The IUPAC name of 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol (CID 107407021) is 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol?
The canonical SMILES for 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol is CC1CCCCN1S(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol?
The InChIKey is FPXCZJJNZAVFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12-6-3-4-10-15(12)19(17,18)14-9-5-7-13(2,16)8-11-14/h12,16H,3-11H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol?
4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol has a molecular weight of 290.43 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpiperidin-1-yl)sulfonylazepan-4-ol is sourced from PubChem (CID 107407021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).