3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one

C9H14N4O3S2 — CID 114165304

IUPAC3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2snc(N)c2S(C)(=O)=O)C1=O
InChIInChI=1S/C9H14N4O3S2/c1-13-4-3-5(9(13)14)11-8-6(18(2,15)16)7(10)12-17-8/h5,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyIEIQRYIBFOIGNW-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.23
Rot. Bonds3

About 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one

3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 114165304) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID114165304
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2snc(N)c2S(C)(=O)=O)C1=O
InChIInChI=1S/C9H14N4O3S2/c1-13-4-3-5(9(13)14)11-8-6(18(2,15)16)7(10)12-17-8/h5,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyIEIQRYIBFOIGNW-UHFFFAOYSA-N
XLogP-0.23
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one (CID 114165304) is 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2snc(N)c2S(C)(=O)=O)C1=O.
What is the InChIKey of 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is IEIQRYIBFOIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c1-13-4-3-5(9(13)14)11-8-6(18(2,15)16)7(10)12-17-8/h5,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 114165304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).