4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine

C17H29N3O2S — CID 56745274

IUPAC4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine
SMILESCCN(C)S(=O)(=O)NCC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C17H29N3O2S/c1-4-19(3)23(21,22)18-13-16-9-11-20(12-10-16)14-17-8-6-5-7-15(17)2/h5-8,16,18H,4,9-14H2,1-3H3
InChIKeyTWFNAIJQRLZQQC-UHFFFAOYSA-N
MW339.50 g/mol
LogP1.99
Rot. Bonds7

About 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine

4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine (PubChem CID 56745274) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine
PubChem CID56745274
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC Name4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine
SMILESCCN(C)S(=O)(=O)NCC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C17H29N3O2S/c1-4-19(3)23(21,22)18-13-16-9-11-20(12-10-16)14-17-8-6-5-7-15(17)2/h5-8,16,18H,4,9-14H2,1-3H3
InChIKeyTWFNAIJQRLZQQC-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
CID 56750737
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine
CID 56757093
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
CID 67960796
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 119927875
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine (CID 56745274) is 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine is CCN(C)S(=O)(=O)NCC1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine?
The InChIKey is TWFNAIJQRLZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-4-19(3)23(21,22)18-13-16-9-11-20(12-10-16)14-17-8-6-5-7-15(17)2/h5-8,16,18H,4,9-14H2,1-3H3.
What are the key properties of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine?
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine has a molecular weight of 339.50 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 56745274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).