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

C10H14N2O3S2 — CID 103424191

IUPAC[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
SMILESCNc1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-12-10-9(17(2,14)15)6(11)8(16-10)7(13)5-3-4-5/h5,12H,3-4,11H2,1-2H3
InChIKeyXDHQVUFVTMFQTH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.37
Rot. Bonds4

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

[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone (PubChem CID 103424191) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
PubChem CID103424191
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
SMILESCNc1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-12-10-9(17(2,14)15)6(11)8(16-10)7(13)5-3-4-5/h5,12H,3-4,11H2,1-2H3
InChIKeyXDHQVUFVTMFQTH-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103425606
[3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone
CID 103420887
[3-amino-4-ethylsulfonyl-5-(propylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103423081
ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424237
3-amino-5-[(4-methylcyclohexyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103426574
1-[3-amino-4-methylsulfonyl-5-(piperidin-4-ylamino)thiophen-2-yl]propan-1-one
CID 103525531
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424424
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
1-[3-amino-5-(butylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103425192
[3-amino-5-(3-methylbutan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103426906
[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103427588

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone (CID 103424191) is [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone is CNc1sc(C(=O)C2CC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
The InChIKey is XDHQVUFVTMFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-12-10-9(17(2,14)15)6(11)8(16-10)7(13)5-3-4-5/h5,12H,3-4,11H2,1-2H3.
What are the key properties of [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone has a molecular weight of 274.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(methylamino)-4-methylsulfonylthiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103424191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).