N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride

C14H23ClN2O3S — CID 120648412

IUPACN-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCC(C(=O)N(CCCN)Cc1ccccc1)S(C)(=O)=O.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-12(20(2,18)19)14(17)16(10-6-9-15)11-13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11,15H2,1-2H3;1H
InChIKeyBFGPHBFOHGUZJP-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.22
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride (PubChem CID 120648412) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
PubChem CID120648412
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
SMILESCC(C(=O)N(CCCN)Cc1ccccc1)S(C)(=O)=O.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-12(20(2,18)19)14(17)16(10-6-9-15)11-13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11,15H2,1-2H3;1H
InChIKeyBFGPHBFOHGUZJP-UHFFFAOYSA-N
XLogP1.22
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
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CID 120649030
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
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2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
N-(3-aminopropyl)-N-benzyl-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 120649371
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120649189
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride (CID 120648412) is N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride is CC(C(=O)N(CCCN)Cc1ccccc1)S(C)(=O)=O.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride?
The InChIKey is BFGPHBFOHGUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-12(20(2,18)19)14(17)16(10-6-9-15)11-13-7-4-3-5-8-13;/h3-5,7-8,12H,6,9-11,15H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 120648412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).