2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride

C17H34ClN3O3S — CID 119648333

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1.Cl
InChIInChI=1S/C17H33N3O3S.ClH/c1-3-18-12-15-8-10-20(11-9-15)17(21)13-24(22,23)19-16-6-4-14(2)5-7-16;/h14-16,18-19H,3-13H2,1-2H3;1H
InChIKeyKWZHGPHPSXEGRS-UHFFFAOYSA-N
MW396.00 g/mol
LogP1.75
Rot. Bonds7

About 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride (PubChem CID 119648333) has the molecular formula C17H34ClN3O3S and a molecular weight of 396.00 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
PubChem CID119648333
Molecular FormulaC17H34ClN3O3S
Molecular Weight396.00 g/mol
Exact Mass395.20
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1.Cl
InChIInChI=1S/C17H33N3O3S.ClH/c1-3-18-12-15-8-10-20(11-9-15)17(21)13-24(22,23)19-16-6-4-14(2)5-7-16;/h14-16,18-19H,3-13H2,1-2H3;1H
InChIKeyKWZHGPHPSXEGRS-UHFFFAOYSA-N
XLogP1.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.00
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride 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-(ethylaminomethyl)piperidin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 119645088
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702
2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
CID 56582574
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990742
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532
2-(4-chlorophenyl)sulfonyl-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119648007
N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
CID 56502847
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371560

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride (CID 119648333) is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride is CCNCC1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1.Cl.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride?
The InChIKey is KWZHGPHPSXEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S.ClH/c1-3-18-12-15-8-10-20(11-9-15)17(21)13-24(22,23)19-16-6-4-14(2)5-7-16;/h14-16,18-19H,3-13H2,1-2H3;1H.
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride?
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride has a molecular weight of 396.00 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride is sourced from PubChem (CID 119648333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).