4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide

C15H22N4O4S2 — CID 122161873

IUPAC4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H22N4O4S2/c1-18(2)25(22,23)19-9-7-14(8-10-19)12-17-24(20,21)15-5-3-13(11-16)4-6-15/h3-6,14,17H,7-10,12H2,1-2H3
InChIKeyHXJFGMPACSYQEY-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.35
Rot. Bonds6

About 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide

4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 122161873) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID122161873
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H22N4O4S2/c1-18(2)25(22,23)19-9-7-14(8-10-19)12-17-24(20,21)15-5-3-13(11-16)4-6-15/h3-6,14,17H,7-10,12H2,1-2H3
InChIKeyHXJFGMPACSYQEY-UHFFFAOYSA-N
XLogP0.35
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
CID 122161875
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
4-[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]sulfonylbenzonitrile
CID 131902475
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122161874
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
2-(4-cyanophenyl)-2-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]acetamide
CID 86959111
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 122161873) is 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is HXJFGMPACSYQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-18(2)25(22,23)19-9-7-14(8-10-19)12-17-24(20,21)15-5-3-13(11-16)4-6-15/h3-6,14,17H,7-10,12H2,1-2H3.
What are the key properties of 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 386.50 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 122161873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).