N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide

C13H20N2O3S — CID 61349904

IUPACN-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)N(CCN)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(9-8-14)13(16)11-4-6-12(7-5-11)19(3,17)18/h4-7,10H,8-9,14H2,1-3H3
InChIKeyPGTHKZNVTNBHQN-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.90
Rot. Bonds5

About N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide

N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide (PubChem CID 61349904) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
PubChem CID61349904
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)N(CCN)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)15(9-8-14)13(16)11-4-6-12(7-5-11)19(3,17)18/h4-7,10H,8-9,14H2,1-3H3
InChIKeyPGTHKZNVTNBHQN-UHFFFAOYSA-N
XLogP0.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658
N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
CID 134058555
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide (CID 61349904) is N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide is CC(C)N(CCN)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide?
The InChIKey is PGTHKZNVTNBHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)15(9-8-14)13(16)11-4-6-12(7-5-11)19(3,17)18/h4-7,10H,8-9,14H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide?
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 61349904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).