N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine

C16H26N2O2S — CID 64586716

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-17(4-2)14-15-10-12-18(13-11-15)21(19,20)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyVCEWHCGFRYPCPQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.43
Rot. Bonds6

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine (PubChem CID 64586716) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
PubChem CID64586716
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-17(4-2)14-15-10-12-18(13-11-15)21(19,20)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyVCEWHCGFRYPCPQ-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine 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-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
CID 110353175
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
1-(benzenesulfonyl)-4-[(2S)-butan-2-yl]piperazin-4-ium
CID 6948505
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]guanidine
CID 110930257

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine (CID 64586716) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine is CCN(CC)CC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine?
The InChIKey is VCEWHCGFRYPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-17(4-2)14-15-10-12-18(13-11-15)21(19,20)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine has a molecular weight of 310.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 64586716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).