1-(2-methylsulfanylthiophen-3-yl)propan-2-amine

C8H13NS2 — CID 130840357

IUPAC1-(2-methylsulfanylthiophen-3-yl)propan-2-amine
SMILESCSc1sccc1CC(C)N
InChIInChI=1S/C8H13NS2/c1-6(9)5-7-3-4-11-8(7)10-2/h3-4,6H,5,9H2,1-2H3
InChIKeyUUGJSCPEFXIRAV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine

1-(2-methylsulfanylthiophen-3-yl)propan-2-amine (PubChem CID 130840357) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylthiophen-3-yl)propan-2-amine
PubChem CID130840357
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name1-(2-methylsulfanylthiophen-3-yl)propan-2-amine
SMILESCSc1sccc1CC(C)N
InChIInChI=1S/C8H13NS2/c1-6(9)5-7-3-4-11-8(7)10-2/h3-4,6H,5,9H2,1-2H3
InChIKeyUUGJSCPEFXIRAV-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine (CID 130840357) is 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine is CSc1sccc1CC(C)N.
What is the InChIKey of 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine?
The InChIKey is UUGJSCPEFXIRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-6(9)5-7-3-4-11-8(7)10-2/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine?
1-(2-methylsulfanylthiophen-3-yl)propan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylthiophen-3-yl)propan-2-amine is sourced from PubChem (CID 130840357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).