2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid

C11H19N3O5S — CID 107424559

IUPAC2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
SMILESCc1cc(CS(=O)(=O)N(CCN(C)C)CC(=O)O)no1
InChIInChI=1S/C11H19N3O5S/c1-9-6-10(12-19-9)8-20(17,18)14(7-11(15)16)5-4-13(2)3/h6H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyPGZBYXNRBBEGQQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.24
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid (PubChem CID 107424559) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
PubChem CID107424559
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
SMILESCc1cc(CS(=O)(=O)N(CCN(C)C)CC(=O)O)no1
InChIInChI=1S/C11H19N3O5S/c1-9-6-10(12-19-9)8-20(17,18)14(7-11(15)16)5-4-13(2)3/h6H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyPGZBYXNRBBEGQQ-UHFFFAOYSA-N
XLogP-0.24
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
CID 60827962
N-ethyl-N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 115650821
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 61019091
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297663
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607330
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
CID 30056480
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid (CID 107424559) is 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid is Cc1cc(CS(=O)(=O)N(CCN(C)C)CC(=O)O)no1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
The InChIKey is PGZBYXNRBBEGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-9-6-10(12-19-9)8-20(17,18)14(7-11(15)16)5-4-13(2)3/h6H,4-5,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid has a molecular weight of 305.36 g/mol, XLogP of -0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid is sourced from PubChem (CID 107424559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).