1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one

C14H22N2O2S — CID 103423034

IUPAC1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC2CCCCC2)c(OC)c1N
InChIInChI=1S/C14H22N2O2S/c1-3-10(17)13-11(15)12(18-2)14(19-13)16-9-7-5-4-6-8-9/h9,16H,3-8,15H2,1-2H3
InChIKeyVDBSPWBVUUASCH-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.68
Rot. Bonds5

About 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one

1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one (PubChem CID 103423034) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
PubChem CID103423034
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC2CCCCC2)c(OC)c1N
InChIInChI=1S/C14H22N2O2S/c1-3-10(17)13-11(15)12(18-2)14(19-13)16-9-7-5-4-6-8-9/h9,16H,3-8,15H2,1-2H3
InChIKeyVDBSPWBVUUASCH-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
1-[3-amino-4-methoxy-5-[(2-methylcyclopropyl)amino]thiophen-2-yl]propan-1-one
CID 103526142
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427445
1-[3-amino-4-methoxy-5-[(1-methylcyclopropyl)methylamino]thiophen-2-yl]propan-1-one
CID 114102757
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one (CID 103423034) is 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one is CCC(=O)c1sc(NC2CCCCC2)c(OC)c1N.
What is the InChIKey of 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one?
The InChIKey is VDBSPWBVUUASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-10(17)13-11(15)12(18-2)14(19-13)16-9-7-5-4-6-8-9/h9,16H,3-8,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one?
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one has a molecular weight of 282.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one is sourced from PubChem (CID 103423034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).