N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide

C12H18N2O3S — CID 61348545

IUPACN-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide
SMILESCCN(CCN)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-3-14(8-7-13)12(15)10-5-4-6-11(9-10)18(2,16)17/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyMJESAMJYGPTTOM-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.51
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide

N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide (PubChem CID 61348545) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide
PubChem CID61348545
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide
SMILESCCN(CCN)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-3-14(8-7-13)12(15)10-5-4-6-11(9-10)18(2,16)17/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyMJESAMJYGPTTOM-UHFFFAOYSA-N
XLogP0.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(2-chloroethyl)-3-methylsulfonylbenzamide
CID 63391720
3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
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3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-(2-chloroethyl)-3-methylsulfonyl-N-propan-2-ylbenzamide
CID 63393933
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
(3-methylsulfonylbenzoyl)azanium
CID 163693398
1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide (CID 61348545) is N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide is CCN(CCN)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide?
The InChIKey is MJESAMJYGPTTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-14(8-7-13)12(15)10-5-4-6-11(9-10)18(2,16)17/h4-6,9H,3,7-8,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide?
N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 61348545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).