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

C9H14N2O4S2 — CID 103815343

IUPACethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H14N2O4S2/c1-4-15-8(12)6-11(3)17(13,14)9-5-10-7(2)16-9/h5H,4,6H2,1-3H3
InChIKeyIJDZFMQDVDDUGQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.64
Rot. Bonds5

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

ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate (PubChem CID 103815343) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
PubChem CID103815343
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Nameethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C9H14N2O4S2/c1-4-15-8(12)6-11(3)17(13,14)9-5-10-7(2)16-9/h5H,4,6H2,1-3H3
InChIKeyIJDZFMQDVDDUGQ-UHFFFAOYSA-N
XLogP0.64
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103853917
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969412
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 113337732
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
CID 55007949
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103951462
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103871344
2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
CID 104936964
2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]ethanethioamide
CID 103414692
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
ethyl 2-[(2-amino-3,6-dimethylphenyl)sulfonyl-methylamino]acetate
CID 103171371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate (CID 103815343) is ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate is CCOC(=O)CN(C)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
The InChIKey is IJDZFMQDVDDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-4-15-8(12)6-11(3)17(13,14)9-5-10-7(2)16-9/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate?
ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate has a molecular weight of 278.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate is sourced from PubChem (CID 103815343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).