N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide

C14H29N3O2S — CID 79319252

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-3-17-10-4-5-14(17)11-16(2)20(18,19)12-13-6-8-15-9-7-13/h13-15H,3-12H2,1-2H3
InChIKeyROEMCJHYYQPWGD-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.73
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide (PubChem CID 79319252) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
PubChem CID79319252
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C14H29N3O2S/c1-3-17-10-4-5-14(17)11-16(2)20(18,19)12-13-6-8-15-9-7-13/h13-15H,3-12H2,1-2H3
InChIKeyROEMCJHYYQPWGD-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide 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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 79313995
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-(propylamino)propane-1-sulfonamide
CID 79318230
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 79312053
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79699728
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpiperidin-3-amine
CID 79313602
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
N-methyl-N-(3-methylbutyl)-1-piperidin-4-ylmethanesulfonamide
CID 54972194
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79308723

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide (CID 79319252) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide is CCN1CCCC1CN(C)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is ROEMCJHYYQPWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-17-10-4-5-14(17)11-16(2)20(18,19)12-13-6-8-15-9-7-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 79319252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).