N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine

C14H23NO2S2 — CID 106731874

IUPACN-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine
SMILESCCCS(=O)(=O)CCSc1ccc(CNCC)cc1
InChIInChI=1S/C14H23NO2S2/c1-3-10-19(16,17)11-9-18-14-7-5-13(6-8-14)12-15-4-2/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyUTCYWFXYLKLZMG-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.71
Rot. Bonds9

About N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine

N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 106731874) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine
PubChem CID106731874
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC NameN-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine
SMILESCCCS(=O)(=O)CCSc1ccc(CNCC)cc1
InChIInChI=1S/C14H23NO2S2/c1-3-10-19(16,17)11-9-18-14-7-5-13(6-8-14)12-15-4-2/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyUTCYWFXYLKLZMG-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106722196
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
N-[[4-(3,3-dimethylbutylsulfanyl)phenyl]methyl]propan-1-amine
CID 113384839
N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805871
[4-(3-ethylsulfonylpropylsulfanyl)phenyl]methanol
CID 113372007
N-[[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721959
2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63806927
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 60823872
N-[(4-pent-3-ynylsulfanylphenyl)methyl]propan-1-amine
CID 113455926
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine (CID 106731874) is N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine is CCCS(=O)(=O)CCSc1ccc(CNCC)cc1.
What is the InChIKey of N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is UTCYWFXYLKLZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-3-10-19(16,17)11-9-18-14-7-5-13(6-8-14)12-15-4-2/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine?
N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 301.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propylsulfonylethylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106731874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).