1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one

C16H26N2O2S — CID 107416246

IUPAC1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCOc1c(NCC2CCC(C)C2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C16H26N2O2S/c1-9(2)13(19)15-12(17)14(20-4)16(21-15)18-8-11-6-5-10(3)7-11/h9-11,18H,5-8,17H2,1-4H3
InChIKeyIYFVZZCANDDKGP-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.03
Rot. Bonds6

About 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 107416246) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
PubChem CID107416246
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCOc1c(NCC2CCC(C)C2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C16H26N2O2S/c1-9(2)13(19)15-12(17)14(20-4)16(21-15)18-8-11-6-5-10(3)7-11/h9-11,18H,5-8,17H2,1-4H3
InChIKeyIYFVZZCANDDKGP-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103424685
1-[3-amino-4-methoxy-5-[(1-methylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103431127
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
ethyl 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxylate
CID 107416210
3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416244
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
CID 103430824
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103507066

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one (CID 107416246) is 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one is COc1c(NCC2CCC(C)C2)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is IYFVZZCANDDKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-9(2)13(19)15-12(17)14(20-4)16(21-15)18-8-11-6-5-10(3)7-11/h9-11,18H,5-8,17H2,1-4H3.
What are the key properties of 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 310.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 107416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).