benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate

C15H20N2O4S — CID 175977278

IUPACbenzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC2(CCS(=O)(=O)N2)C1
InChIInChI=1S/C15H20N2O4S/c18-14(21-11-13-5-2-1-3-6-13)17-9-4-7-15(12-17)8-10-22(19,20)16-15/h1-3,5-6,16H,4,7-12H2
InChIKeyTYGSQSPSSVJXGD-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.48
Rot. Bonds2

About benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate

benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 175977278) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID175977278
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Namebenzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC2(CCS(=O)(=O)N2)C1
InChIInChI=1S/C15H20N2O4S/c18-14(21-11-13-5-2-1-3-6-13)17-9-4-7-15(12-17)8-10-22(19,20)16-15/h1-3,5-6,16H,4,7-12H2
InChIKeyTYGSQSPSSVJXGD-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
CID 98124909
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate (CID 175977278) is benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate is O=C(OCc1ccccc1)N1CCCC2(CCS(=O)(=O)N2)C1.
What is the InChIKey of benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is TYGSQSPSSVJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-14(21-11-13-5-2-1-3-6-13)17-9-4-7-15(12-17)8-10-22(19,20)16-15/h1-3,5-6,16H,4,7-12H2.
What are the key properties of benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate?
benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 175977278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).