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

C14H29NO4S — CID 118241879

IUPACpropan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate
SMILESCCC(CC(C)(CC)N(C)S(C)(=O)=O)C(=O)OC(C)C
InChIInChI=1S/C14H29NO4S/c1-8-12(13(16)19-11(3)4)10-14(5,9-2)15(6)20(7,17)18/h11-12H,8-10H2,1-7H3
InChIKeyZFMXRJVACZGHSF-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.41
Rot. Bonds8

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

propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate (PubChem CID 118241879) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate
PubChem CID118241879
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Namepropan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate
SMILESCCC(CC(C)(CC)N(C)S(C)(=O)=O)C(=O)OC(C)C
InChIInChI=1S/C14H29NO4S/c1-8-12(13(16)19-11(3)4)10-14(5,9-2)15(6)20(7,17)18/h11-12H,8-10H2,1-7H3
InChIKeyZFMXRJVACZGHSF-UHFFFAOYSA-N
XLogP2.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.41
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]pentanoate
CID 118241684
Ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942750
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]hexanoate?
The IUPAC name of propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate (CID 118241879) is propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate.
What is the SMILES notation for propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate?
The canonical SMILES for propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate is CCC(CC(C)(CC)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]hexanoate?
The InChIKey is ZFMXRJVACZGHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-8-12(13(16)19-11(3)4)10-14(5,9-2)15(6)20(7,17)18/h11-12H,8-10H2,1-7H3.
What are the key properties of propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate?
propan-2-yl 2-ethyl-4-methyl-4-[methyl(methylsulfonyl)amino]hexanoate has a molecular weight of 307.46 g/mol, XLogP of 2.41, 8 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]hexanoate is sourced from PubChem (CID 118241879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).