2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one

C19H22ClN3O3S2 — CID 23135189

IUPAC2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC3(CCN(c4ccc(Cl)cc4)C3=O)C2)s1
InChIInChI=1S/C19H22ClN3O3S2/c1-13-17(27-14(2)21-13)28(25,26)22-10-3-8-19(12-22)9-11-23(18(19)24)16-6-4-15(20)5-7-16/h4-7H,3,8-12H2,1-2H3
InChIKeyRYQMGDNMNLLGNO-UHFFFAOYSA-N
MW439.99 g/mol
LogP3.62
Rot. Bonds3

About 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one

2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 23135189) has the molecular formula C19H22ClN3O3S2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID23135189
Molecular FormulaC19H22ClN3O3S2
Molecular Weight439.99 g/mol
Exact Mass439.08
IUPAC Name2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC3(CCN(c4ccc(Cl)cc4)C3=O)C2)s1
InChIInChI=1S/C19H22ClN3O3S2/c1-13-17(27-14(2)21-13)28(25,26)22-10-3-8-19(12-22)9-11-23(18(19)24)16-6-4-15(20)5-7-16/h4-7H,3,8-12H2,1-2H3
InChIKeyRYQMGDNMNLLGNO-UHFFFAOYSA-N
XLogP3.62
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one (CID 23135189) is 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1nc(C)c(S(=O)(=O)N2CCCC3(CCN(c4ccc(Cl)cc4)C3=O)C2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RYQMGDNMNLLGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S2/c1-13-17(27-14(2)21-13)28(25,26)22-10-3-8-19(12-22)9-11-23(18(19)24)16-6-4-15(20)5-7-16/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one?
2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 439.99 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 23135189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).