9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C18H22N4O3S — CID 23135203

IUPAC9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cnc(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)c1
InChIInChI=1S/C18H22N4O3S/c1-20-12-16(19-14-20)26(24,25)21-10-5-8-18(13-21)9-11-22(17(18)23)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3
InChIKeyFCTDNLLKBDDDRD-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.63
Rot. Bonds3

About 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 23135203) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID23135203
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cnc(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)c1
InChIInChI=1S/C18H22N4O3S/c1-20-12-16(19-14-20)26(24,25)21-10-5-8-18(13-21)9-11-22(17(18)23)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3
InChIKeyFCTDNLLKBDDDRD-UHFFFAOYSA-N
XLogP1.63
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 23135203) is 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is Cn1cnc(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)c1.
What is the InChIKey of 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is FCTDNLLKBDDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20-12-16(19-14-20)26(24,25)21-10-5-8-18(13-21)9-11-22(17(18)23)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11,13H2,1H3.
What are the key properties of 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 374.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 23135203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).