1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one

C14H22N2OS — CID 103420898

IUPAC1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCCN(C)c1sc(C(=O)C(C)C)c(N)c1C1CC1
InChIInChI=1S/C14H22N2OS/c1-5-16(4)14-10(9-6-7-9)11(15)13(18-14)12(17)8(2)3/h8-9H,5-7,15H2,1-4H3
InChIKeyLXLCRAIUMKSUDP-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.50
Rot. Bonds5

About 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103420898) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103420898
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCCN(C)c1sc(C(=O)C(C)C)c(N)c1C1CC1
InChIInChI=1S/C14H22N2OS/c1-5-16(4)14-10(9-6-7-9)11(15)13(18-14)12(17)8(2)3/h8-9H,5-7,15H2,1-4H3
InChIKeyLXLCRAIUMKSUDP-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one (CID 103420898) is 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one is CCN(C)c1sc(C(=O)C(C)C)c(N)c1C1CC1.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is LXLCRAIUMKSUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-16(4)14-10(9-6-7-9)11(15)13(18-14)12(17)8(2)3/h8-9H,5-7,15H2,1-4H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 266.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103420898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).