[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone

C12H18N2O3S2 — CID 103420887

IUPAC[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
SMILESCCN(C)c1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S2/c1-4-14(2)12-11(19(3,16)17)8(13)10(18-12)9(15)7-5-6-7/h7H,4-6,13H2,1-3H3
InChIKeyASVZWCWYCVAQNS-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.78
Rot. Bonds5

About [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103420887) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103420887
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
SMILESCCN(C)c1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S2/c1-4-14(2)12-11(19(3,16)17)8(13)10(18-12)9(15)7-5-6-7/h7H,4-6,13H2,1-3H3
InChIKeyASVZWCWYCVAQNS-UHFFFAOYSA-N
XLogP1.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618
[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103424191
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
[3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103422266
[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103420433
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103420922
[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103425606
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103423081
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422827

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone (CID 103420887) is [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone is CCN(C)c1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is ASVZWCWYCVAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-4-14(2)12-11(19(3,16)17)8(13)10(18-12)9(15)7-5-6-7/h7H,4-6,13H2,1-3H3.
What are the key properties of [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 302.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103420887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).