1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine

C16H23N5O3S — CID 23938829

IUPAC1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H23N5O3S/c1-4-21-16(17-18-19-21)13-5-6-14(24-3)15(11-13)25(22,23)20-9-7-12(2)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyCXFXQVFQKOUJHC-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.79
Rot. Bonds5

About 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine

1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine (PubChem CID 23938829) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
PubChem CID23938829
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H23N5O3S/c1-4-21-16(17-18-19-21)13-5-6-14(24-3)15(11-13)25(22,23)20-9-7-12(2)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyCXFXQVFQKOUJHC-UHFFFAOYSA-N
XLogP1.79
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
CID 25049417
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
2-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 53098002
5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45107016
2-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 21005420
ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 53117908
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
CID 30864220
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
2-(3,4-dimethoxyphenyl)-5-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098024

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine?
The IUPAC name of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine (CID 23938829) is 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine?
The InChIKey is CXFXQVFQKOUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-4-21-16(17-18-19-21)13-5-6-14(24-3)15(11-13)25(22,23)20-9-7-12(2)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine?
1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine has a molecular weight of 365.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine is sourced from PubChem (CID 23938829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).