2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate

C18H27NO5S — CID 55356811

IUPAC2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCCOC(C)C
InChIInChI=1S/C18H27NO5S/c1-14(2)23-11-12-24-18(20)17-13-16(8-7-15(17)3)25(21,22)19-9-5-4-6-10-19/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyFDUDKIPOOGRVEB-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.75
Rot. Bonds7

About 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate

2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 55356811) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID55356811
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Name2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCCOC(C)C
InChIInChI=1S/C18H27NO5S/c1-14(2)23-11-12-24-18(20)17-13-16(8-7-15(17)3)25(21,22)19-9-5-4-6-10-19/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyFDUDKIPOOGRVEB-UHFFFAOYSA-N
XLogP2.75
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 9339792
(2,4-dichlorophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 4544563
(4-nitrophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573982
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573808
propan-2-yl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 46668568
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
ethyl 5-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-2-chlorobenzoate
CID 28634134
2-phenylethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 1124170
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 46791995
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
CID 26861417
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573802

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate (CID 55356811) is 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is FDUDKIPOOGRVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-14(2)23-11-12-24-18(20)17-13-16(8-7-15(17)3)25(21,22)19-9-5-4-6-10-19/h7-8,13-14H,4-6,9-12H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 369.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55356811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).