[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

C13H20N2O2S2 — CID 103425115

IUPAC[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCOCC(C)Nc1sc(C(=O)C2CC2)c(N)c1SC
InChIInChI=1S/C13H20N2O2S2/c1-7(6-17-2)15-13-12(18-3)9(14)11(19-13)10(16)8-4-5-8/h7-8,15H,4-6,14H2,1-3H3
InChIKeyRYCGFMKJILRWJL-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.09
Rot. Bonds7

About [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103425115) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103425115
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
SMILESCOCC(C)Nc1sc(C(=O)C2CC2)c(N)c1SC
InChIInChI=1S/C13H20N2O2S2/c1-7(6-17-2)15-13-12(18-3)9(14)11(19-13)10(16)8-4-5-8/h7-8,15H,4-6,14H2,1-3H3
InChIKeyRYCGFMKJILRWJL-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425110
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103427551
1-[3-amino-5-(dicyclopropylmethylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508519
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103508186
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
[3-amino-4-methoxy-5-(2-methylpentan-3-ylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103508452
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone (CID 103425115) is [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is COCC(C)Nc1sc(C(=O)C2CC2)c(N)c1SC.
What is the InChIKey of [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is RYCGFMKJILRWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-7(6-17-2)15-13-12(18-3)9(14)11(19-13)10(16)8-4-5-8/h7-8,15H,4-6,14H2,1-3H3.
What are the key properties of [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 300.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103425115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).