1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one

C15H26N2OS2 — CID 103420784

IUPAC1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
SMILESCCN(CC(C)C)c1sc(C(=O)C(C)C)c(N)c1SC
InChIInChI=1S/C15H26N2OS2/c1-7-17(8-9(2)3)15-14(19-6)11(16)13(20-15)12(18)10(4)5/h9-10H,7-8,16H2,1-6H3
InChIKeyGKXFACZQHIQXTM-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.37
Rot. Bonds7

About 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103420784) has the molecular formula C15H26N2OS2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
PubChem CID103420784
Molecular FormulaC15H26N2OS2
Molecular Weight314.52 g/mol
Exact Mass314.15
IUPAC Name1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
SMILESCCN(CC(C)C)c1sc(C(=O)C(C)C)c(N)c1SC
InChIInChI=1S/C15H26N2OS2/c1-7-17(8-9(2)3)15-14(19-6)11(16)13(20-15)12(18)10(4)5/h9-10H,7-8,16H2,1-6H3
InChIKeyGKXFACZQHIQXTM-UHFFFAOYSA-N
XLogP4.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one (CID 103420784) is 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one is CCN(CC(C)C)c1sc(C(=O)C(C)C)c(N)c1SC.
What is the InChIKey of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is GKXFACZQHIQXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS2/c1-7-17(8-9(2)3)15-14(19-6)11(16)13(20-15)12(18)10(4)5/h9-10H,7-8,16H2,1-6H3.
What are the key properties of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 314.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103420784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).