4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide

C14H22N2O3S — CID 119325198

IUPAC4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16(3)14(17)13-7-5-12(9-15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyNTMRPXLSFRPCFC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.04
Rot. Bonds6

About 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide

4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide (PubChem CID 119325198) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
PubChem CID119325198
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16(3)14(17)13-7-5-12(9-15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyNTMRPXLSFRPCFC-UHFFFAOYSA-N
XLogP1.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-tert-butylsulfanylethyl)benzamide
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4-[[benzyl(propyl)amino]methyl]-N-[(4-ethylsulfonylphenyl)methyl]benzamide
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4-[(dimethylamino)sulfonyl]-N-isopropylbenzamide
CID 894524
Benzamide, N,N-diethyl-o-(isopropylsulfonyl)-
CID 210038
Benzamide, N,N-diethyl-p-(methylsulfonyl)-
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(4-Ethylsulfonylpiperazin-1-yl)-phenylmethanone
CID 770518
4-methyl-N-{2-[(4-methylbenzyl)thio]ethyl}benzamide
CID 2200390
N-[2-(tert-butylthio)ethyl]-4-methylbenzamide
CID 2284918

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide (CID 119325198) is 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide is CCS(=O)(=O)CC(C)N(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
The InChIKey is NTMRPXLSFRPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-20(18,19)10-11(2)16(3)14(17)13-7-5-12(9-15)6-8-13/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide?
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 119325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).