1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one

C14H22N2O2S — CID 103508679

IUPAC1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(NCC2CCCCO2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-9(2)13(17)14-11(15)7-12(19-14)16-8-10-5-3-4-6-18-10/h7,9-10,16H,3-6,8,15H2,1-2H3
InChIKeyRXGHYPWXCXIRJJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.15
Rot. Bonds5

About 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103508679) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103508679
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(NCC2CCCCO2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-9(2)13(17)14-11(15)7-12(19-14)16-8-10-5-3-4-6-18-10/h7,9-10,16H,3-6,8,15H2,1-2H3
InChIKeyRXGHYPWXCXIRJJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425678
1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one
CID 103506797
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
methyl 3-amino-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508680
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281
methyl 3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxylate
CID 103508709
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508653
3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508706
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 103508679) is 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1sc(NCC2CCCCO2)cc1N.
What is the InChIKey of 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is RXGHYPWXCXIRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(2)13(17)14-11(15)7-12(19-14)16-8-10-5-3-4-6-18-10/h7,9-10,16H,3-6,8,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 282.41 g/mol, XLogP of 3.15, 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-(oxan-2-ylmethylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103508679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).