1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone

C13H20N2OS — CID 103422109

IUPAC1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC2CCCC2)cc1N
InChIInChI=1S/C13H20N2OS/c1-9(16)13-11(14)7-12(17-13)15(2)8-10-5-3-4-6-10/h7,10H,3-6,8,14H2,1-2H3
InChIKeyHONQONYDTJHCHR-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.16
Rot. Bonds4

About 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone

1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone (PubChem CID 103422109) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
PubChem CID103422109
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC2CCCC2)cc1N
InChIInChI=1S/C13H20N2OS/c1-9(16)13-11(14)7-12(17-13)15(2)8-10-5-3-4-6-10/h7,10H,3-6,8,14H2,1-2H3
InChIKeyHONQONYDTJHCHR-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422110
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509596
3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide
CID 103422316
1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103417679
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
1-[3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103417945
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
CID 107403346
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone (CID 103422109) is 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone is CC(=O)c1sc(N(C)CC2CCCC2)cc1N.
What is the InChIKey of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone?
The InChIKey is HONQONYDTJHCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(16)13-11(14)7-12(17-13)15(2)8-10-5-3-4-6-10/h7,10H,3-6,8,14H2,1-2H3.
What are the key properties of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone?
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103422109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).