1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine

C14H23NO3S — CID 107508858

IUPAC1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CS(=O)(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO3S/c1-11-5-12(2)7-13(6-11)9-19(16,17)10-14(15-3)8-18-4/h5-7,14-15H,8-10H2,1-4H3
InChIKeyCUZKTWBRZSCXSQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.45
Rot. Bonds7

About 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine

1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine (PubChem CID 107508858) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine
PubChem CID107508858
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CS(=O)(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO3S/c1-11-5-12(2)7-13(6-11)9-19(16,17)10-14(15-3)8-18-4/h5-7,14-15H,8-10H2,1-4H3
InChIKeyCUZKTWBRZSCXSQ-UHFFFAOYSA-N
XLogP1.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethylphenyl)methylsulfonyl]-N-ethyl-3-methoxypropan-2-amine
CID 107508857
4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
CID 62320365
1-methoxy-N-methyl-3-(3-methylbutylsulfonyl)propan-2-amine
CID 107760207
N-methyl-1-[(3-methylphenyl)methylsulfonyl]butan-2-amine
CID 64675645
(2S)-1-amino-3-[(3,5-dimethylphenyl)methylsulfonyl]propan-2-ol
CID 114243947
1-[(3,5-dimethylphenyl)methylsulfonyl]-3-(ethylamino)propan-2-ol
CID 115477161
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine
CID 79615977
1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64645722
2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905376
methyl 2-[1-[(3,5-dimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776733

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine (CID 107508858) is 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine is CNC(COC)CS(=O)(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine?
The InChIKey is CUZKTWBRZSCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11-5-12(2)7-13(6-11)9-19(16,17)10-14(15-3)8-18-4/h5-7,14-15H,8-10H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine?
1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107508858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).