propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate

C13H27NO4S — CID 118241684

IUPACpropan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate
SMILESCCC(CC(C)(C)N(C)S(C)(=O)=O)C(=O)OC(C)C
InChIInChI=1S/C13H27NO4S/c1-8-11(12(15)18-10(2)3)9-13(4,5)14(6)19(7,16)17/h10-11H,8-9H2,1-7H3
InChIKeyODPLGKKVOLLGCV-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.02
Rot. Bonds7

About propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate

propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate (PubChem CID 118241684) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate
PubChem CID118241684
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Namepropan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate
SMILESCCC(CC(C)(C)N(C)S(C)(=O)=O)C(=O)OC(C)C
InChIInChI=1S/C13H27NO4S/c1-8-11(12(15)18-10(2)3)9-13(4,5)14(6)19(7,16)17/h10-11H,8-9H2,1-7H3
InChIKeyODPLGKKVOLLGCV-UHFFFAOYSA-N
XLogP2.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[(3R)-1-methylsulfonylpiperidin-3-yl]acetate
CID 164638801
Propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate
CID 118241879
Propan-2-yl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 136531768

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate?
The IUPAC name of propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate (CID 118241684) is propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate.
What is the SMILES notation for propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate?
The canonical SMILES for propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate is CCC(CC(C)(C)N(C)S(C)(=O)=O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate?
The InChIKey is ODPLGKKVOLLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-8-11(12(15)18-10(2)3)9-13(4,5)14(6)19(7,16)17/h10-11H,8-9H2,1-7H3.
What are the key properties of propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate?
propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate has a molecular weight of 293.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]pentanoate is sourced from PubChem (CID 118241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).