methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate

C10H21NO5S — CID 55014263

IUPACmethyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
SMILESCOCCS(=O)(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H21NO5S/c1-8(2)7-9(10(12)16-4)11-17(13,14)6-5-15-3/h8-9,11H,5-7H2,1-4H3
InChIKeyNYLZTMKDAAVGJX-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.14
Rot. Bonds8

About methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate

methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate (PubChem CID 55014263) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
PubChem CID55014263
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
SMILESCOCCS(=O)(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H21NO5S/c1-8(2)7-9(10(12)16-4)11-17(13,14)6-5-15-3/h8-9,11H,5-7H2,1-4H3
InChIKeyNYLZTMKDAAVGJX-UHFFFAOYSA-N
XLogP0.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 139051832
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
ethyl 2-(3-chloropropylsulfonylamino)-4-methylpentanoate
CID 163488373
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
2-(2-methoxyethoxy)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)ethanesulfonamide
CID 110625586
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate (CID 55014263) is methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate is COCCS(=O)(=O)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate?
The InChIKey is NYLZTMKDAAVGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-8(2)7-9(10(12)16-4)11-17(13,14)6-5-15-3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate?
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate has a molecular weight of 267.35 g/mol, XLogP of 0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate is sourced from PubChem (CID 55014263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).