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

C15H25N3OS — CID 103508604

IUPAC1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(NCCN2CCCCC2)cc1N
InChIInChI=1S/C15H25N3OS/c1-11(2)14(19)15-12(16)10-13(20-15)17-6-9-18-7-4-3-5-8-18/h10-11,17H,3-9,16H2,1-2H3
InChIKeySNNROPKNOJMOSB-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.07
Rot. Bonds6

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

1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103508604) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103508604
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(NCCN2CCCCC2)cc1N
InChIInChI=1S/C15H25N3OS/c1-11(2)14(19)15-12(16)10-13(20-15)17-6-9-18-7-4-3-5-8-18/h10-11,17H,3-9,16H2,1-2H3
InChIKeySNNROPKNOJMOSB-UHFFFAOYSA-N
XLogP3.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-dimethyl-5-(2-piperidin-1-ylethylamino)thiophene-2-carboxamide
CID 103508614
3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508490
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
CID 103508622
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
CID 106017402
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80739266
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 103508604) is 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1sc(NCCN2CCCCC2)cc1N.
What is the InChIKey of 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is SNNROPKNOJMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(2)14(19)15-12(16)10-13(20-15)17-6-9-18-7-4-3-5-8-18/h10-11,17H,3-9,16H2,1-2H3.
What are the key properties of 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 295.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103508604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).