N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

C16H22N2O5S — CID 110396656

IUPACN-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C16H22N2O5S/c1-13-3-5-14(6-4-13)24(20,21)17-15(19)18-9-7-16(8-10-18)22-11-2-12-23-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyCOIQRMHRDKVZMB-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.62
Rot. Bonds2

About N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide

N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 110396656) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID110396656
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C16H22N2O5S/c1-13-3-5-14(6-4-13)24(20,21)17-15(19)18-9-7-16(8-10-18)22-11-2-12-23-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyCOIQRMHRDKVZMB-UHFFFAOYSA-N
XLogP1.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
CID 134115577
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 110396656) is N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCC3(CC2)OCCCO3)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is COIQRMHRDKVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-13-3-5-14(6-4-13)24(20,21)17-15(19)18-9-7-16(8-10-18)22-11-2-12-23-16/h3-6H,2,7-12H2,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 110396656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).