1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one

C12H20N2OS — CID 103423875

IUPAC1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)CNc1cc(N)c(C(=O)C(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-7(2)6-14-10-5-9(13)12(16-10)11(15)8(3)4/h5,7-8,14H,6,13H2,1-4H3
InChIKeyVJZFEDSVBWTZOO-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.24
Rot. Bonds5

About 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103423875) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103423875
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)CNc1cc(N)c(C(=O)C(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-7(2)6-14-10-5-9(13)12(16-10)11(15)8(3)4/h5,7-8,14H,6,13H2,1-4H3
InChIKeyVJZFEDSVBWTZOO-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103424271
1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508679
1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508604
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
3-amino-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425572
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 103423875) is 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one is CC(C)CNc1cc(N)c(C(=O)C(C)C)s1.
What is the InChIKey of 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is VJZFEDSVBWTZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-7(2)6-14-10-5-9(13)12(16-10)11(15)8(3)4/h5,7-8,14H,6,13H2,1-4H3.
What are the key properties of 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 240.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103423875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).