1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone

C14H24N2O2S — CID 103425581

IUPAC1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCC(C)C)c(OC(C)C)c1N
InChIInChI=1S/C14H24N2O2S/c1-8(2)6-7-16-14-12(18-9(3)4)11(15)13(19-14)10(5)17/h8-9,16H,6-7,15H2,1-5H3
InChIKeyKCQDWGFMNUJEHE-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.78
Rot. Bonds7

About 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone

1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone (PubChem CID 103425581) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
PubChem CID103425581
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCC(C)C)c(OC(C)C)c1N
InChIInChI=1S/C14H24N2O2S/c1-8(2)6-7-16-14-12(18-9(3)4)11(15)13(19-14)10(5)17/h8-9,16H,6-7,15H2,1-5H3
InChIKeyKCQDWGFMNUJEHE-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
CID 103507970
1-[3-amino-4-propan-2-yloxy-5-(pyridin-4-ylmethylamino)thiophen-2-yl]ethanone
CID 103426694
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103424329
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050
3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103420117

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone (CID 103425581) is 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone is CC(=O)c1sc(NCCC(C)C)c(OC(C)C)c1N.
What is the InChIKey of 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
The InChIKey is KCQDWGFMNUJEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-8(2)6-7-16-14-12(18-9(3)4)11(15)13(19-14)10(5)17/h8-9,16H,6-7,15H2,1-5H3.
What are the key properties of 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone?
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone has a molecular weight of 284.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone is sourced from PubChem (CID 103425581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).