ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate

C9H17NO6S2 — CID 82842680

IUPACethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H17NO6S2/c1-3-16-9(11)6-10(8-4-5-8)18(14,15)7-17(2,12)13/h8H,3-7H2,1-2H3
InChIKeyWKYWMAPJKUOHGL-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.65
Rot. Bonds7

About ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate

ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate (PubChem CID 82842680) has the molecular formula C9H17NO6S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
PubChem CID82842680
Molecular FormulaC9H17NO6S2
Molecular Weight299.37 g/mol
Exact Mass299.05
IUPAC Nameethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H17NO6S2/c1-3-16-9(11)6-10(8-4-5-8)18(14,15)7-17(2,12)13/h8H,3-7H2,1-2H3
InChIKeyWKYWMAPJKUOHGL-UHFFFAOYSA-N
XLogP-0.65
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate (CID 82842680) is ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate?
The InChIKey is WKYWMAPJKUOHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S2/c1-3-16-9(11)6-10(8-4-5-8)18(14,15)7-17(2,12)13/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate?
ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate has a molecular weight of 299.37 g/mol, XLogP of -0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate is sourced from PubChem (CID 82842680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).