1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine

C14H17NS2 — CID 115857234

IUPAC1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCSc1ccccc1C(N)CCc1ccsc1
InChIInChI=1S/C14H17NS2/c1-16-14-5-3-2-4-12(14)13(15)7-6-11-8-9-17-10-11/h2-5,8-10,13H,6-7,15H2,1H3
InChIKeySSOPDAAKTARMFT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds5

About 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine

1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857234) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID115857234
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Name1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCSc1ccccc1C(N)CCc1ccsc1
InChIInChI=1S/C14H17NS2/c1-16-14-5-3-2-4-12(14)13(15)7-6-11-8-9-17-10-11/h2-5,8-10,13H,6-7,15H2,1H3
InChIKeySSOPDAAKTARMFT-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857115
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
3-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79205323
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039765
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
CID 65131707
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115856968
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine (CID 115857234) is 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine is CSc1ccccc1C(N)CCc1ccsc1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is SSOPDAAKTARMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-16-14-5-3-2-4-12(14)13(15)7-6-11-8-9-17-10-11/h2-5,8-10,13H,6-7,15H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine?
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).