5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one

C17H22ClNO3S — CID 19992129

IUPAC5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
SMILESO=C1CC2(CCCCC2Cc2cccc(Cl)c2)S(=O)(=O)CCN1
InChIInChI=1S/C17H22ClNO3S/c18-15-6-3-4-13(11-15)10-14-5-1-2-7-17(14)12-16(20)19-8-9-23(17,21)22/h3-4,6,11,14H,1-2,5,7-10,12H2,(H,19,20)
InChIKeyLYKADKIEKZSBNM-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.75
Rot. Bonds2

About 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one

5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one (PubChem CID 19992129) has the molecular formula C17H22ClNO3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
PubChem CID19992129
Molecular FormulaC17H22ClNO3S
Molecular Weight355.89 g/mol
Exact Mass355.10
IUPAC Name5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
SMILESO=C1CC2(CCCCC2Cc2cccc(Cl)c2)S(=O)(=O)CCN1
InChIInChI=1S/C17H22ClNO3S/c18-15-6-3-4-13(11-15)10-14-5-1-2-7-17(14)12-16(20)19-8-9-23(17,21)22/h3-4,6,11,14H,1-2,5,7-10,12H2,(H,19,20)
InChIKeyLYKADKIEKZSBNM-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-fluorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
CID 19992191
5-[(4-chlorophenyl)methyl]-7,7-dioxo-10-(pyridin-3-ylmethyl)-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
CID 19992150
3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
CID 124592994
5-[(3-chlorophenyl)methyl]-10-(pyridin-3-ylmethyl)-7-thia-10-azaspiro[5.6]dodecan-11-one
CID 57303992
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
CID 90760388
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[(3-chlorophenyl)methyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175726800
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one (CID 19992129) is 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one is O=C1CC2(CCCCC2Cc2cccc(Cl)c2)S(=O)(=O)CCN1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one?
The InChIKey is LYKADKIEKZSBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3S/c18-15-6-3-4-13(11-15)10-14-5-1-2-7-17(14)12-16(20)19-8-9-23(17,21)22/h3-4,6,11,14H,1-2,5,7-10,12H2,(H,19,20).
What are the key properties of 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one?
5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one has a molecular weight of 355.89 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-7,7-dioxo-7λ6-thia-10-azaspiro[5.6]dodecan-11-one is sourced from PubChem (CID 19992129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).