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

C9H14N2OS — CID 103424271

IUPAC1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCNc1cc(N)c(C(=O)C(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-5(2)8(12)9-6(10)4-7(11-3)13-9/h4-5,11H,10H2,1-3H3
InChIKeyZQJUDSQAUYECBU-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.21
Rot. Bonds3

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

1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103424271) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103424271
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCNc1cc(N)c(C(=O)C(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-5(2)8(12)9-6(10)4-7(11-3)13-9/h4-5,11H,10H2,1-3H3
InChIKeyZQJUDSQAUYECBU-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423875
1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508604
1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508679
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103418556
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
3-amino-5-(1-cyclopropylethylamino)thiophene-2-carboxamide
CID 103427586
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
1-[3-amino-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103420625

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 103424271) is 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one is CNc1cc(N)c(C(=O)C(C)C)s1.
What is the InChIKey of 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is ZQJUDSQAUYECBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-5(2)8(12)9-6(10)4-7(11-3)13-9/h4-5,11H,10H2,1-3H3.
What are the key properties of 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 198.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103424271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).