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

C16H26N2OS — CID 103419941

IUPAC1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
SMILESCCCN(CCC)c1sc(C(=O)CC)c(N)c1C1CC1
InChIInChI=1S/C16H26N2OS/c1-4-9-18(10-5-2)16-13(11-7-8-11)14(17)15(20-16)12(19)6-3/h11H,4-10,17H2,1-3H3
InChIKeyQBLJDQVQAGOWFS-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.43
Rot. Bonds8

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

1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one (PubChem CID 103419941) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
PubChem CID103419941
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
SMILESCCCN(CCC)c1sc(C(=O)CC)c(N)c1C1CC1
InChIInChI=1S/C16H26N2OS/c1-4-9-18(10-5-2)16-13(11-7-8-11)14(17)15(20-16)12(19)6-3/h11H,4-10,17H2,1-3H3
InChIKeyQBLJDQVQAGOWFS-UHFFFAOYSA-N
XLogP4.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103419964
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526642
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103420397
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
methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
CID 103420777
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one (CID 103419941) is 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one is CCCN(CCC)c1sc(C(=O)CC)c(N)c1C1CC1.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one?
The InChIKey is QBLJDQVQAGOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-9-18(10-5-2)16-13(11-7-8-11)14(17)15(20-16)12(19)6-3/h11H,4-10,17H2,1-3H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one has a molecular weight of 294.46 g/mol, XLogP of 4.43, 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]propan-1-one is sourced from PubChem (CID 103419941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).