N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride

C12H21ClN2O2S — CID 119982474

IUPACN-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)N(C)C(C)CN)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10-5-4-6-12(7-10)9-17(15,16)14(3)11(2)8-13;/h4-7,11H,8-9,13H2,1-3H3;1H
InChIKeyKLXNNFFEZKEAIU-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.53
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride (PubChem CID 119982474) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride
PubChem CID119982474
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)N(C)C(C)CN)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10-5-4-6-12(7-10)9-17(15,16)14(3)11(2)8-13;/h4-7,11H,8-9,13H2,1-3H3;1H
InChIKeyKLXNNFFEZKEAIU-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 119991476
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119982725
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
CID 61116214
1-[3-(hydroxymethyl)phenyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
CID 112667028
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188514
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride (CID 119982474) is N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride is Cc1cccc(CS(=O)(=O)N(C)C(C)CN)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The InChIKey is KLXNNFFEZKEAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-10-5-4-6-12(7-10)9-17(15,16)14(3)11(2)8-13;/h4-7,11H,8-9,13H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119982474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).