methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate

C12H23NO4S — CID 54998272

IUPACmethyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO4S/c1-3-13(9-12(14)17-2)18(15,16)10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyNZJNVVKTXGSROO-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.39
Rot. Bonds6

About methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate

methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate (PubChem CID 54998272) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
PubChem CID54998272
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO4S/c1-3-13(9-12(14)17-2)18(15,16)10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyNZJNVVKTXGSROO-UHFFFAOYSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate?
The IUPAC name of methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate (CID 54998272) is methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate is CCN(CC(=O)OC)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate?
The InChIKey is NZJNVVKTXGSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-3-13(9-12(14)17-2)18(15,16)10-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate?
methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate has a molecular weight of 277.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate is sourced from PubChem (CID 54998272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).