N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide

C16H26N2O6S2 — CID 24678943

IUPACN-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OCC
InChIInChI=1S/C16H26N2O6S2/c1-4-23-15-7-6-14(12-16(15)24-5-2)26(21,22)18-10-8-13(9-11-18)17-25(3,19)20/h6-7,12-13,17H,4-5,8-11H2,1-3H3
InChIKeyHEVJIIBQQKDSRH-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.19
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide

N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (PubChem CID 24678943) has the molecular formula C16H26N2O6S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
PubChem CID24678943
Molecular FormulaC16H26N2O6S2
Molecular Weight406.53 g/mol
Exact Mass406.12
IUPAC NameN-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OCC
InChIInChI=1S/C16H26N2O6S2/c1-4-23-15-7-6-14(12-16(15)24-5-2)26(21,22)18-10-8-13(9-11-18)17-25(3,19)20/h6-7,12-13,17H,4-5,8-11H2,1-3H3
InChIKeyHEVJIIBQQKDSRH-UHFFFAOYSA-N
XLogP1.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
[(3S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 125118085
N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189839
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
1-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124683067
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963332
2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 9190138
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-diethoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987390

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (CID 24678943) is N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is CCOc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The InChIKey is HEVJIIBQQKDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6S2/c1-4-23-15-7-6-14(12-16(15)24-5-2)26(21,22)18-10-8-13(9-11-18)17-25(3,19)20/h6-7,12-13,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 24678943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).