N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

C16H26N2O6S2 — CID 3221370

IUPACN-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1)OC
InChIInChI=1S/C16H26N2O6S2/c1-13-5-4-10-18(12-13)26(21,22)15-8-6-14(7-9-15)25(19,20)17-11-16(23-2)24-3/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyDAEWMZCQTWTCLO-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.00
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide

N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 3221370) has the molecular formula C16H26N2O6S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID3221370
Molecular FormulaC16H26N2O6S2
Molecular Weight406.53 g/mol
Exact Mass406.12
IUPAC NameN-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1)OC
InChIInChI=1S/C16H26N2O6S2/c1-13-5-4-10-18(12-13)26(21,22)15-8-6-14(7-9-15)25(19,20)17-11-16(23-2)24-3/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyDAEWMZCQTWTCLO-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide 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

1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide (CID 3221370) is N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is DAEWMZCQTWTCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6S2/c1-13-5-4-10-18(12-13)26(21,22)15-8-6-14(7-9-15)25(19,20)17-11-16(23-2)24-3/h6-9,13,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide?
N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 3221370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).