N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride

C13H21ClN2O3S — CID 119625570

IUPACN-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCC(N)c1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-9(14)10-5-7-11(8-6-10)15-12(16)13(2,3)19(4,17)18;/h5-9H,14H2,1-4H3,(H,15,16);1H
InChIKeyBKMHCYAGXBBLBU-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.89
Rot. Bonds4

About N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride

N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride (PubChem CID 119625570) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride
PubChem CID119625570
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCC(N)c1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-9(14)10-5-7-11(8-6-10)15-12(16)13(2,3)19(4,17)18;/h5-9H,14H2,1-4H3,(H,15,16);1H
InChIKeyBKMHCYAGXBBLBU-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79558826
N-[4-(hydroxymethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide
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N-(3-amino-4-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
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1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
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CID 119473761
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
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CID 171241846

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride (CID 119625570) is N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride is CC(N)c1ccc(NC(=O)C(C)(C)S(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
The InChIKey is BKMHCYAGXBBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-9(14)10-5-7-11(8-6-10)15-12(16)13(2,3)19(4,17)18;/h5-9H,14H2,1-4H3,(H,15,16);1H.
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride?
N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2-methyl-2-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 119625570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).