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

C19H23N3O3S2 — CID 23135408

IUPAC9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)s1
InChIInChI=1S/C19H23N3O3S2/c1-14-17(26-15(2)20-14)27(24,25)21-11-6-9-19(13-21)10-12-22(18(19)23)16-7-4-3-5-8-16/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyMDOJUNNWOHVLCS-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.97
Rot. Bonds3

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

9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 23135408) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID23135408
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)s1
InChIInChI=1S/C19H23N3O3S2/c1-14-17(26-15(2)20-14)27(24,25)21-11-6-9-19(13-21)10-12-22(18(19)23)16-7-4-3-5-8-16/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyMDOJUNNWOHVLCS-UHFFFAOYSA-N
XLogP2.97
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 23135408) is 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is Cc1nc(C)c(S(=O)(=O)N2CCCC3(CCN(c4ccccc4)C3=O)C2)s1.
What is the InChIKey of 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MDOJUNNWOHVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-14-17(26-15(2)20-14)27(24,25)21-11-6-9-19(13-21)10-12-22(18(19)23)16-7-4-3-5-8-16/h3-5,7-8H,6,9-13H2,1-2H3.
What are the key properties of 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 405.55 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 23135408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).