[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate

C11H21NO4S — CID 89088759

IUPAC[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(CC)NS(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-6-11(4,12-17(5,14)15)7-8-16-10(13)9(2)3/h12H,2,6-8H2,1,3-5H3
InChIKeyNNOYVUTVZRYCPE-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.21
Rot. Bonds7

About [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate

[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate (PubChem CID 89088759) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate
PubChem CID89088759
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(CC)NS(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-6-11(4,12-17(5,14)15)7-8-16-10(13)9(2)3/h12H,2,6-8H2,1,3-5H3
InChIKeyNNOYVUTVZRYCPE-UHFFFAOYSA-N
XLogP1.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654
8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
CID 126489334
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
methyl hydrogen sulfate;trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium;chloride
CID 174732478
1,1,2,2-tetrafluoro-4-(2-methylprop-2-enoyloxy)butane-1-sulfonic acid
CID 58079068
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
methyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)ethylsulfonyl]propanoate
CID 54558665

Frequently Asked Questions

What is the IUPAC name of [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate (CID 89088759) is [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)(CC)NS(C)(=O)=O.
What is the InChIKey of [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate?
The InChIKey is NNOYVUTVZRYCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-6-11(4,12-17(5,14)15)7-8-16-10(13)9(2)3/h12H,2,6-8H2,1,3-5H3.
What are the key properties of [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate?
[3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate has a molecular weight of 263.36 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methanesulfonamido)-3-methylpentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89088759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).