ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate

C13H20N2O4S2 — CID 138673705

IUPACethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate
SMILESCCOC(=O)C(c1csc(NS(=O)(=O)C2CC2)n1)C(C)C
InChIInChI=1S/C13H20N2O4S2/c1-4-19-12(16)11(8(2)3)10-7-20-13(14-10)15-21(17,18)9-5-6-9/h7-9,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyOQPSOSHMKNVMAJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate (PubChem CID 138673705) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate
PubChem CID138673705
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate
SMILESCCOC(=O)C(c1csc(NS(=O)(=O)C2CC2)n1)C(C)C
InChIInChI=1S/C13H20N2O4S2/c1-4-19-12(16)11(8(2)3)10-7-20-13(14-10)15-21(17,18)9-5-6-9/h7-9,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyOQPSOSHMKNVMAJ-UHFFFAOYSA-N
XLogP2.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate?
The IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate (CID 138673705) is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate.
What is the SMILES notation for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate?
The canonical SMILES for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate is CCOC(=O)C(c1csc(NS(=O)(=O)C2CC2)n1)C(C)C.
What is the InChIKey of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate?
The InChIKey is OQPSOSHMKNVMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-4-19-12(16)11(8(2)3)10-7-20-13(14-10)15-21(17,18)9-5-6-9/h7-9,11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate?
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate has a molecular weight of 332.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methylbutanoate is sourced from PubChem (CID 138673705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).