N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine

C15H25NO2S2 — CID 64611477

IUPACN-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SCCS(C)(=O)=O
InChIInChI=1S/C15H25NO2S2/c1-5-16-15(14-8-6-12(2)7-9-14)13(3)19-10-11-20(4,17)18/h6-9,13,15-16H,5,10-11H2,1-4H3
InChIKeyKQCNBDNUNJWSSK-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.81
Rot. Bonds8

About N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine

N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine (PubChem CID 64611477) has the molecular formula C15H25NO2S2 and a molecular weight of 315.50 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
PubChem CID64611477
Molecular FormulaC15H25NO2S2
Molecular Weight315.50 g/mol
Exact Mass315.13
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SCCS(C)(=O)=O
InChIInChI=1S/C15H25NO2S2/c1-5-16-15(14-8-6-12(2)7-9-14)13(3)19-10-11-20(4,17)18/h6-9,13,15-16H,5,10-11H2,1-4H3
InChIKeyKQCNBDNUNJWSSK-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64609842
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135
N-methyl-2-(2-methylsulfonylethylsulfanyl)-1-phenylpropan-1-amine
CID 64610461
1-(4-methylphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63658656
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
N-ethyl-2-(3-methylbutylsulfonyl)-1-(4-methylphenyl)propan-1-amine
CID 107760277
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64644621
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
CID 64633884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine (CID 64611477) is N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)SCCS(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
The InChIKey is KQCNBDNUNJWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S2/c1-5-16-15(14-8-6-12(2)7-9-14)13(3)19-10-11-20(4,17)18/h6-9,13,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine has a molecular weight of 315.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine is sourced from PubChem (CID 64611477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).