3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol

C15H18N2O3S — CID 104774002

IUPAC3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol
SMILESCCC1(O)CN(S(=O)(=O)c2ccc(C)c3ncccc23)C1
InChIInChI=1S/C15H18N2O3S/c1-3-15(18)9-17(10-15)21(19,20)13-7-6-11(2)14-12(13)5-4-8-16-14/h4-8,18H,3,9-10H2,1-2H3
InChIKeyJZIDCYKEGGXAFW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.69
Rot. Bonds3

About 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol

3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol (PubChem CID 104774002) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol
PubChem CID104774002
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol
SMILESCCC1(O)CN(S(=O)(=O)c2ccc(C)c3ncccc23)C1
InChIInChI=1S/C15H18N2O3S/c1-3-15(18)9-17(10-15)21(19,20)13-7-6-11(2)14-12(13)5-4-8-16-14/h4-8,18H,3,9-10H2,1-2H3
InChIKeyJZIDCYKEGGXAFW-UHFFFAOYSA-N
XLogP1.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
N,N-diethyl-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55544877
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
1-(azepan-1-yl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 55560037
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992673
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55558830
1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-2-amine
CID 104773970
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
CID 104773999
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol?
The IUPAC name of 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol (CID 104774002) is 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol.
What is the SMILES notation for 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol?
The canonical SMILES for 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol is CCC1(O)CN(S(=O)(=O)c2ccc(C)c3ncccc23)C1.
What is the InChIKey of 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol?
The InChIKey is JZIDCYKEGGXAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-15(18)9-17(10-15)21(19,20)13-7-6-11(2)14-12(13)5-4-8-16-14/h4-8,18H,3,9-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol?
3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol has a molecular weight of 306.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol is sourced from PubChem (CID 104774002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).