tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate

C12H24N2O5S — CID 86811552

IUPACtert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CC1CNCCO1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O5S/c1-12(2,3)19-11(15)9-14(20(4,16)17)8-10-7-13-5-6-18-10/h10,13H,5-9H2,1-4H3
InChIKeyQGURZAVBJJGIJP-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.42
Rot. Bonds5

About tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate

tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate (PubChem CID 86811552) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate
PubChem CID86811552
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Nametert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CC1CNCCO1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O5S/c1-12(2,3)19-11(15)9-14(20(4,16)17)8-10-7-13-5-6-18-10/h10,13H,5-9H2,1-4H3
InChIKeyQGURZAVBJJGIJP-UHFFFAOYSA-N
XLogP-0.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
CID 68507128
2-[methyl(morpholin-2-ylmethyl)amino]acetamide
CID 64533243
tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
CID 97056703
tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate
CID 175189044
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
N-ethylsulfonyl-2-morpholin-2-ylacetamide
CID 103306746
2,2-difluoro-N-methyl-N-(morpholin-2-ylmethyl)acetamide
CID 103514255
tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
CID 142435710
dimethyl-[[(2R)-morpholin-2-yl]methylimino]-oxo-λ6-sulfane
CID 139359823
tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate
CID 68999628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate (CID 86811552) is tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate is CC(C)(C)OC(=O)CN(CC1CNCCO1)S(C)(=O)=O.
What is the InChIKey of tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate?
The InChIKey is QGURZAVBJJGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-12(2,3)19-11(15)9-14(20(4,16)17)8-10-7-13-5-6-18-10/h10,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate?
tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate has a molecular weight of 308.40 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methylsulfonyl(morpholin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 86811552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).