1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C18H23N3O2S — CID 97452726

IUPAC1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCc4ccccc43)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-20-13-17(19-14-20)24(22,23)21-11-9-18(10-12-21)8-4-6-15-5-2-3-7-16(15)18/h2-3,5,7,13-14H,4,6,8-12H2,1H3
InChIKeySYEZHIVNGWNSED-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.48
Rot. Bonds2

About 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 97452726) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID97452726
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCc4ccccc43)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-20-13-17(19-14-20)24(22,23)21-11-9-18(10-12-21)8-4-6-15-5-2-3-7-16(15)18/h2-3,5,7,13-14H,4,6,8-12H2,1H3
InChIKeySYEZHIVNGWNSED-UHFFFAOYSA-N
XLogP2.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 97452726) is 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is Cn1cnc(S(=O)(=O)N2CCC3(CCCc4ccccc43)CC2)c1.
What is the InChIKey of 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is SYEZHIVNGWNSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-13-17(19-14-20)24(22,23)21-11-9-18(10-12-21)8-4-6-15-5-2-3-7-16(15)18/h2-3,5,7,13-14H,4,6,8-12H2,1H3.
What are the key properties of 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 345.47 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methylimidazol-4-yl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 97452726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).