2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 103353710

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCCC1CCN(c2ccccc2S(=O)(=O)NC)C(CN)C1
InChIInChI=1S/C15H25N3O2S/c1-3-12-8-9-18(13(10-12)11-16)14-6-4-5-7-15(14)21(19,20)17-2/h4-7,12-13,17H,3,8-11,16H2,1-2H3
InChIKeyPZGCWHKYXPDUBR-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 103353710) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
PubChem CID103353710
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCCC1CCN(c2ccccc2S(=O)(=O)NC)C(CN)C1
InChIInChI=1S/C15H25N3O2S/c1-3-12-8-9-18(13(10-12)11-16)14-6-4-5-7-15(14)21(19,20)17-2/h4-7,12-13,17H,3,8-11,16H2,1-2H3
InChIKeyPZGCWHKYXPDUBR-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
CID 103353554
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
CID 103353540
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104
4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
CID 114427524
[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
CID 103442531
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-(2,5-diethylpiperazin-1-yl)-N-methylbenzenesulfonamide
CID 64979148
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 102784168
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
CID 103353808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide (CID 103353710) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide is CCC1CCN(c2ccccc2S(=O)(=O)NC)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is PZGCWHKYXPDUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-12-8-9-18(13(10-12)11-16)14-6-4-5-7-15(14)21(19,20)17-2/h4-7,12-13,17H,3,8-11,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103353710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).