4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide

C15H25N3O2S — CID 146149057

IUPAC4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
SMILESCCN(C)CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-17(2)12-13-8-10-18(11-9-13)14-4-6-15(7-5-14)21(16,19)20/h4-7,13H,3,8-12H2,1-2H3,(H2,16,19,20)
InChIKeyDHTAGAWBVHJFBC-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.50
Rot. Bonds5

About 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide

4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide (PubChem CID 146149057) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
PubChem CID146149057
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
SMILESCCN(C)CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-17(2)12-13-8-10-18(11-9-13)14-4-6-15(7-5-14)21(16,19)20/h4-7,13H,3,8-12H2,1-2H3,(H2,16,19,20)
InChIKeyDHTAGAWBVHJFBC-UHFFFAOYSA-N
XLogP1.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide
CID 154706179
4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide
CID 154703782
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
4-[4-[(4-thiophen-3-ylpiperidin-1-yl)methyl]piperidin-1-yl]benzenesulfonamide
CID 154725961
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 167519802
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63249525
4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
CID 11393856

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide (CID 146149057) is 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide is CCN(C)CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide?
The InChIKey is DHTAGAWBVHJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-17(2)12-13-8-10-18(11-9-13)14-4-6-15(7-5-14)21(16,19)20/h4-7,13H,3,8-12H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide?
4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 146149057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).