1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one

C15H24N2O2S — CID 103424685

IUPAC1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)Oc1c(NCC2CC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C15H24N2O2S/c1-8(2)12(18)14-11(16)13(19-9(3)4)15(20-14)17-7-10-5-6-10/h8-10,17H,5-7,16H2,1-4H3
InChIKeyDTTCFLHNSDTAKQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.78
Rot. Bonds7

About 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103424685) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
PubChem CID103424685
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)Oc1c(NCC2CC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C15H24N2O2S/c1-8(2)12(18)14-11(16)13(19-9(3)4)15(20-14)17-7-10-5-6-10/h8-10,17H,5-7,16H2,1-4H3
InChIKeyDTTCFLHNSDTAKQ-UHFFFAOYSA-N
XLogP3.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 107416246
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
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-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
[3-amino-5-(2-ethoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103428631
1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103420277
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
CID 103510092
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one (CID 103424685) is 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one is CC(C)Oc1c(NCC2CC2)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is DTTCFLHNSDTAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-8(2)12(18)14-11(16)13(19-9(3)4)15(20-14)17-7-10-5-6-10/h8-10,17H,5-7,16H2,1-4H3.
What are the key properties of 1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 296.44 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-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103424685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).