4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C8H14N2O3S2 — CID 106379797

IUPAC4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CS(C)(=O)=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O3S2/c1-6(5-15(2,12)13)9-3-7-4-14-8(11)10-7/h4,6,9H,3,5H2,1-2H3,(H,10,11)
InChIKeyNTKLGLOMXAERFR-UHFFFAOYSA-N
MW250.34 g/mol
LogP-0.04
Rot. Bonds5

About 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379797) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379797
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC Name4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CS(C)(=O)=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O3S2/c1-6(5-15(2,12)13)9-3-7-4-14-8(11)10-7/h4,6,9H,3,5H2,1-2H3,(H,10,11)
InChIKeyNTKLGLOMXAERFR-UHFFFAOYSA-N
XLogP-0.04
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379797) is 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CC(CS(C)(=O)=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NTKLGLOMXAERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-6(5-15(2,12)13)9-3-7-4-14-8(11)10-7/h4,6,9H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 250.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).