1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one

C11H18N2OS2 — CID 103423070

IUPAC1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
SMILESCCCNc1sc(C(=O)CC)c(N)c1SC
InChIInChI=1S/C11H18N2OS2/c1-4-6-13-11-10(15-3)8(12)9(16-11)7(14)5-2/h13H,4-6,12H2,1-3H3
InChIKeyYNKWYJBMIHAQGF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.47
Rot. Bonds6

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

1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one (PubChem CID 103423070) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
PubChem CID103423070
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
SMILESCCCNc1sc(C(=O)CC)c(N)c1SC
InChIInChI=1S/C11H18N2OS2/c1-4-6-13-11-10(15-3)8(12)9(16-11)7(14)5-2/h13H,4-6,12H2,1-3H3
InChIKeyYNKWYJBMIHAQGF-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(3-methylbut-2-enylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 106199138
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
1-[3-amino-5-[(2-methylphenyl)methylamino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103431839
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
1-[3-amino-4,5-bis(methylsulfanyl)thiophen-2-yl]propan-1-one
CID 103526629
1-[3-amino-4-methylsulfanyl-5-(pentylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425378
1-[3-amino-5-(dicyclopropylmethylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508519
1-[3-amino-5-[(3-bromophenyl)methylamino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103507864
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
1-[3-amino-5-[(4,4-dimethylcyclohexyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508116
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103425578

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one (CID 103423070) is 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one is CCCNc1sc(C(=O)CC)c(N)c1SC.
What is the InChIKey of 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one?
The InChIKey is YNKWYJBMIHAQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-4-6-13-11-10(15-3)8(12)9(16-11)7(14)5-2/h13H,4-6,12H2,1-3H3.
What are the key properties of 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one has a molecular weight of 258.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103423070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).