N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine

C18H25ClN2O2S — CID 11222423

IUPACN-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine
SMILESCCNCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C12CCCCC2
InChIInChI=1S/C18H25ClN2O2S/c1-3-20-13-16-17(14-7-9-15(19)10-8-14)24(22,23)21(2)18(16)11-5-4-6-12-18/h7-10,20H,3-6,11-13H2,1-2H3
InChIKeyHFYHSVCTWLAPOC-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.64
Rot. Bonds4

About N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine

N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine (PubChem CID 11222423) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine
PubChem CID11222423
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC NameN-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine
SMILESCCNCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C12CCCCC2
InChIInChI=1S/C18H25ClN2O2S/c1-3-20-13-16-17(14-7-9-15(19)10-8-14)24(22,23)21(2)18(16)11-5-4-6-12-18/h7-10,20H,3-6,11-13H2,1-2H3
InChIKeyHFYHSVCTWLAPOC-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 139208493
N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 75427998
1-(4-chlorophenyl)-N-((1-isopropylpiperidin-4-yl)methyl)methanesulfonamide
CID 16887590
N-(3-(4-Chlorophenyl)-2,2-dioxo-2-thia-1-aza-spiro[4.4]non-3-en-4-ylmethyl)-N-(2-fluoroethyl)amine
CID 17973765
N-[[5-(4-chlorophenyl)-2-(2-fluoroethyl)-3,3-dimethyl-1,1-dioxo-1,2-thiazol-4-yl]methyl]ethanamine
CID 17979136
n-(5-(4-Chlorophenyl)-3,3-dimethyl-1,1-dioxo-2-(4,4,4-trifluorobutyl)-2,3-dihydroisothiazol-4-yl)methyl-n-ethylamine
CID 17979142
N-(5-(4-Chlorophenyl)-3,3-bis(fluoromethyl)-1,1-dioxo-2,3-dihydroisothiazol-4-yl)methyl-N-ethylamine
CID 17979145
5-(4-Chlorophenyl)-2-(2-fluoroethyl)-3,3,4-trimethyl-1,2-thiazole 1,1-dioxide
CID 17979147
N-(5-(4-Chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-yl)methyl-N-(2-fluoroethyl)amine
CID 17979148
N-(3-(4-Fluorophenyl)-2,2-dioxo-2-thia-1-aza-spiro[4.5]dec-3-en-4-ylmethyl)-N-ethylamine
CID 21910580

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine (CID 11222423) is N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine is CCNCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C12CCCCC2.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine?
The InChIKey is HFYHSVCTWLAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2S/c1-3-20-13-16-17(14-7-9-15(19)10-8-14)24(22,23)21(2)18(16)11-5-4-6-12-18/h7-10,20H,3-6,11-13H2,1-2H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine?
N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine has a molecular weight of 368.93 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1-methyl-2,2-dioxo-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl]methyl]ethanamine is sourced from PubChem (CID 11222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).