4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one

C10H18N2O3S2 — CID 106381142

IUPAC4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)S(=O)(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O3S2/c1-10(2,3)17(14,15)5-4-11-6-8-7-16-9(13)12-8/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyVEOOAAZCGTUDCF-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.74
Rot. Bonds5

About 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381142) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381142
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)S(=O)(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O3S2/c1-10(2,3)17(14,15)5-4-11-6-8-7-16-9(13)12-8/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyVEOOAAZCGTUDCF-UHFFFAOYSA-N
XLogP0.74
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
CID 106380607
2,2-dimethyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanenitrile
CID 106381121
2-tert-butylsulfonyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115625744
4-[[(3-amino-4-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381822
2-tert-butylsulfonyl-N-(thiophen-3-ylmethyl)ethanamine
CID 115625750
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379627
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837
4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381718
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106383148

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106381142) is 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one is CC(C)(C)S(=O)(=O)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VEOOAAZCGTUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-10(2,3)17(14,15)5-4-11-6-8-7-16-9(13)12-8/h7,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 278.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).