1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one

C17H28N2OS — CID 103419964

IUPAC1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCCCN(CCC)c1sc(C(=O)C(C)C)c(N)c1C1CC1
InChIInChI=1S/C17H28N2OS/c1-5-9-19(10-6-2)17-13(12-7-8-12)14(18)16(21-17)15(20)11(3)4/h11-12H,5-10,18H2,1-4H3
InChIKeyJZJDWRDLUYVWDF-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.67
Rot. Bonds8

About 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103419964) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103419964
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCCCN(CCC)c1sc(C(=O)C(C)C)c(N)c1C1CC1
InChIInChI=1S/C17H28N2OS/c1-5-9-19(10-6-2)17-13(12-7-8-12)14(18)16(21-17)15(20)11(3)4/h11-12H,5-10,18H2,1-4H3
InChIKeyJZJDWRDLUYVWDF-UHFFFAOYSA-N
XLogP4.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
CID 103419941
methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
CID 103420777
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103420397
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
1-[3-amino-4-cyclopropyl-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425616
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 103419964) is 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one is CCCN(CCC)c1sc(C(=O)C(C)C)c(N)c1C1CC1.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is JZJDWRDLUYVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-5-9-19(10-6-2)17-13(12-7-8-12)14(18)16(21-17)15(20)11(3)4/h11-12H,5-10,18H2,1-4H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 308.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103419964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).