1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine

C14H23NS2 — CID 113247045

IUPAC1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C14H23NS2/c1-5-17-10-11(2)15-12(3)13-6-8-14(16-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyQKNMRKAUJRWRES-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.20
Rot. Bonds7

About 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine

1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine (PubChem CID 113247045) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
PubChem CID113247045
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C14H23NS2/c1-5-17-10-11(2)15-12(3)13-6-8-14(16-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyQKNMRKAUJRWRES-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
N-[1-(3,4-difluorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115668175
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115776767
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626
4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
CID 43693156
1-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 113261798
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
CID 115725692
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
N-[1-(4-iodophenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721846
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-1-ol
CID 113247027

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine (CID 113247045) is 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine is CCSCC(C)NC(C)c1ccc(SC)cc1.
What is the InChIKey of 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine?
The InChIKey is QKNMRKAUJRWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-5-17-10-11(2)15-12(3)13-6-8-14(16-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine?
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine has a molecular weight of 269.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 113247045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).