1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine

C14H23NO2S — CID 113350740

IUPAC1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCc1cccc(C)c1
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)11-13(3)15-9-8-14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3
InChIKeyNBAWPRFGFNILKP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.95
Rot. Bonds7

About 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine

1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 113350740) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID113350740
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCc1cccc(C)c1
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)11-13(3)15-9-8-14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3
InChIKeyNBAWPRFGFNILKP-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
3-methyl-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312988
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
1,1-difluoro-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 102869472
N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
CID 103776608
N-[2-(3-methylphenyl)ethyl]but-3-en-2-amine
CID 107906880
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
4-[(3-methylphenyl)methylsulfonyl]-N-propylpentan-2-amine
CID 64704189
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315357

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine (CID 113350740) is 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine is CCS(=O)(=O)CC(C)NCCc1cccc(C)c1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is NBAWPRFGFNILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-18(16,17)11-13(3)15-9-8-14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine?
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 113350740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).