4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide

C16H27N3O5S2 — CID 122161855

IUPAC4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C16H27N3O5S2/c1-13-11-15(24-4)5-6-16(13)25(20,21)17-12-14-7-9-19(10-8-14)26(22,23)18(2)3/h5-6,11,14,17H,7-10,12H2,1-4H3
InChIKeyPGDHJVCFFWASAE-UHFFFAOYSA-N
MW405.54 g/mol
LogP0.80
Rot. Bonds7

About 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide

4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 122161855) has the molecular formula C16H27N3O5S2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID122161855
Molecular FormulaC16H27N3O5S2
Molecular Weight405.54 g/mol
Exact Mass405.14
IUPAC Name4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C16H27N3O5S2/c1-13-11-15(24-4)5-6-16(13)25(20,21)17-12-14-7-9-19(10-8-14)26(22,23)18(2)3/h5-6,11,14,17H,7-10,12H2,1-4H3
InChIKeyPGDHJVCFFWASAE-UHFFFAOYSA-N
XLogP0.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109744
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161873
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122161874
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 122161796
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 167846855

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 122161855) is 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1.
What is the InChIKey of 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is PGDHJVCFFWASAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S2/c1-13-11-15(24-4)5-6-16(13)25(20,21)17-12-14-7-9-19(10-8-14)26(22,23)18(2)3/h5-6,11,14,17H,7-10,12H2,1-4H3.
What are the key properties of 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 405.54 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 122161855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).