methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate

C8H12N2O4S2 — CID 103853917

IUPACmethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C8H12N2O4S2/c1-6-9-4-8(15-6)16(12,13)10(2)5-7(11)14-3/h4H,5H2,1-3H3
InChIKeyCYUONZGUJIERDB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.25
Rot. Bonds4

About methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate

methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate (PubChem CID 103853917) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
PubChem CID103853917
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Namemethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C8H12N2O4S2/c1-6-9-4-8(15-6)16(12,13)10(2)5-7(11)14-3/h4H,5H2,1-3H3
InChIKeyCYUONZGUJIERDB-UHFFFAOYSA-N
XLogP0.25
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103815343
methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 113337732
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969412
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103871344
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
CID 104936964
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103951462
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 113337763
3-[tert-butyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
CID 103414111
methyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]acetate
CID 80742032
2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide
CID 103414692

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate (CID 103853917) is methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate is COC(=O)CN(C)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
The InChIKey is CYUONZGUJIERDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-6-9-4-8(15-6)16(12,13)10(2)5-7(11)14-3/h4H,5H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate has a molecular weight of 264.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate is sourced from PubChem (CID 103853917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).