methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate

C12H23NO5S — CID 63247219

IUPACmethyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
SMILESCCCC(C)(NS(=O)(=O)CC1CCCO1)C(=O)OC
InChIInChI=1S/C12H23NO5S/c1-4-7-12(2,11(14)17-3)13-19(15,16)9-10-6-5-8-18-10/h10,13H,4-9H2,1-3H3
InChIKeyQZGRETPDYIRLHU-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.82
Rot. Bonds7

About methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate

methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate (PubChem CID 63247219) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
PubChem CID63247219
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Namemethyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
SMILESCCCC(C)(NS(=O)(=O)CC1CCCO1)C(=O)OC
InChIInChI=1S/C12H23NO5S/c1-4-7-12(2,11(14)17-3)13-19(15,16)9-10-6-5-8-18-10/h10,13H,4-9H2,1-3H3
InChIKeyQZGRETPDYIRLHU-UHFFFAOYSA-N
XLogP0.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64556226
oxolan-2-yl 2-methyl-2-(methylamino)pentanoate
CID 170233945
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 113284015
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
CID 114811481
methyl 2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propylamino)hexanoate
CID 106495708
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
methyl 2-cyclopropyl-2-(oxolan-2-ylmethylsulfonyl)acetate
CID 106493674

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate (CID 63247219) is methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate is CCCC(C)(NS(=O)(=O)CC1CCCO1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate?
The InChIKey is QZGRETPDYIRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-4-7-12(2,11(14)17-3)13-19(15,16)9-10-6-5-8-18-10/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate?
methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate has a molecular weight of 293.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate is sourced from PubChem (CID 63247219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).