1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine

C17H25N5O4S — CID 3191920

IUPAC1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine
SMILESCCOc1cc(S(=O)(=O)N2CCCC(C)C2)c(OCC)cc1-n1cnnn1
InChIInChI=1S/C17H25N5O4S/c1-4-25-15-10-17(27(23,24)21-8-6-7-13(3)11-21)16(26-5-2)9-14(15)22-12-18-19-20-22/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyDMXUWMZILQUPKJ-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.88
Rot. Bonds7

About 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine

1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine (PubChem CID 3191920) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine
PubChem CID3191920
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine
SMILESCCOc1cc(S(=O)(=O)N2CCCC(C)C2)c(OCC)cc1-n1cnnn1
InChIInChI=1S/C17H25N5O4S/c1-4-25-15-10-17(27(23,24)21-8-6-7-13(3)11-21)16(26-5-2)9-14(15)22-12-18-19-20-22/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyDMXUWMZILQUPKJ-UHFFFAOYSA-N
XLogP1.88
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 3191918
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
N-(1,3-benzodioxol-5-ylmethyl)-2,5-diethoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1428929
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600606
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 91670208
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
2-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 654021

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine?
The IUPAC name of 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine (CID 3191920) is 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine is CCOc1cc(S(=O)(=O)N2CCCC(C)C2)c(OCC)cc1-n1cnnn1.
What is the InChIKey of 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine?
The InChIKey is DMXUWMZILQUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-4-25-15-10-17(27(23,24)21-8-6-7-13(3)11-21)16(26-5-2)9-14(15)22-12-18-19-20-22/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine?
1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine has a molecular weight of 395.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine is sourced from PubChem (CID 3191920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).