4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one

C15H19NOS — CID 3277826

IUPAC4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCc1cccc(N2C(=O)CSC23CCCCC3)c1
InChIInChI=1S/C15H19NOS/c1-12-6-5-7-13(10-12)16-14(17)11-18-15(16)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyDFPYFYCGNMHTBU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.74
Rot. Bonds1

About 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one

4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 3277826) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID3277826
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCc1cccc(N2C(=O)CSC23CCCCC3)c1
InChIInChI=1S/C15H19NOS/c1-12-6-5-7-13(10-12)16-14(17)11-18-15(16)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyDFPYFYCGNMHTBU-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(benzylthio)-N-phenylacetamide
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CID 98686
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
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2-(3-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2844802
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
3-m-Tolylrhodanine
CID 95741
3-p-Tolylrhodanine
CID 99568
3-(1-Naphthalenyl)-2-thioxo-4-thiazolidinone
CID 211702

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one (CID 3277826) is 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one is Cc1cccc(N2C(=O)CSC23CCCCC3)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is DFPYFYCGNMHTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-6-5-7-13(10-12)16-14(17)11-18-15(16)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one?
4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 261.39 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 3277826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).