1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one

C11H15NOS2 — CID 103526642

IUPAC1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
SMILESCCC(=O)c1sc(SC)c(C2CC2)c1N
InChIInChI=1S/C11H15NOS2/c1-3-7(13)10-9(12)8(6-4-5-6)11(14-2)15-10/h6H,3-5,12H2,1-2H3
InChIKeyKWCGXBDMZRLKCW-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one

1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one (PubChem CID 103526642) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
PubChem CID103526642
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
SMILESCCC(=O)c1sc(SC)c(C2CC2)c1N
InChIInChI=1S/C11H15NOS2/c1-3-7(13)10-9(12)8(6-4-5-6)11(14-2)15-10/h6H,3-5,12H2,1-2H3
InChIKeyKWCGXBDMZRLKCW-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-4,5-bis(methylsulfanyl)thiophen-2-yl]propan-1-one
CID 103526629
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
CID 103419941
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526645
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
1-[3-amino-4-cyclopropyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505948
1-[3-amino-5-[(4,4-dimethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508116
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103505876
1-[3-amino-5-(dicyclopropylmethylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508519

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
The IUPAC name of 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one (CID 103526642) is 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one is CCC(=O)c1sc(SC)c(C2CC2)c1N.
What is the InChIKey of 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
The InChIKey is KWCGXBDMZRLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-3-7(13)10-9(12)8(6-4-5-6)11(14-2)15-10/h6H,3-5,12H2,1-2H3.
What are the key properties of 1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one has a molecular weight of 241.38 g/mol, XLogP of 3.52, 4 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-methylsulfanylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 103526642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).