1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol

C13H27NO3S — CID 65153721

IUPAC1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
SMILESCCN1CCCC(O)(CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C13H27NO3S/c1-3-14-10-5-7-13(15,9-11-14)8-6-12-18(16,17)4-2/h15H,3-12H2,1-2H3
InChIKeyZWFYYHBEXWNGPC-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.44
Rot. Bonds6

About 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol

1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol (PubChem CID 65153721) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
PubChem CID65153721
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
SMILESCCN1CCCC(O)(CCCS(=O)(=O)CC)CC1
InChIInChI=1S/C13H27NO3S/c1-3-14-10-5-7-13(15,9-11-14)8-6-12-18(16,17)4-2/h15H,3-12H2,1-2H3
InChIKeyZWFYYHBEXWNGPC-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(3-methoxypropyl)azepan-4-ol
CID 114852274
3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
4-decyl-1-ethylpiperidin-4-ol
CID 65146691
4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
CID 106820916
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
CID 65151467
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
1-ethyl-4-(3-methylbutyl)piperidin-4-ol
CID 65146637
4-but-3-ynyl-1-ethylpiperidin-4-ol
CID 63656680
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
CID 65145628

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol?
The IUPAC name of 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol (CID 65153721) is 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol.
What is the SMILES notation for 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol?
The canonical SMILES for 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol is CCN1CCCC(O)(CCCS(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol?
The InChIKey is ZWFYYHBEXWNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-3-14-10-5-7-13(15,9-11-14)8-6-12-18(16,17)4-2/h15H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol?
1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol has a molecular weight of 277.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol is sourced from PubChem (CID 65153721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).