1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine

C9H15NOS2 — CID 3996773

IUPAC1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine
SMILESCOc1sc(SC)cc1CC(C)N
InChIInChI=1S/C9H15NOS2/c1-6(10)4-7-5-8(12-3)13-9(7)11-2/h5-6H,4,10H2,1-3H3
InChIKeyZTNLTVRVUCZHHK-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine

1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine (PubChem CID 3996773) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine
PubChem CID3996773
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine
SMILESCOc1sc(SC)cc1CC(C)N
InChIInChI=1S/C9H15NOS2/c1-6(10)4-7-5-8(12-3)13-9(7)11-2/h5-6H,4,10H2,1-3H3
InChIKeyZTNLTVRVUCZHHK-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine (CID 3996773) is 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine is COc1sc(SC)cc1CC(C)N.
What is the InChIKey of 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine?
The InChIKey is ZTNLTVRVUCZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-6(10)4-7-5-8(12-3)13-9(7)11-2/h5-6H,4,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine?
1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylsulfanylthiophen-3-yl)propan-2-amine is sourced from PubChem (CID 3996773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).