3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate

C9H17NO4S — CID 139973187

IUPAC3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-6(2)9(11)14-8(4)7(3)10-15(5,12)13/h7-8,10H,1H2,2-5H3
InChIKeyUUARAUHXGPYOFV-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.43
Rot. Bonds5

About 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate

3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate (PubChem CID 139973187) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate
PubChem CID139973187
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-6(2)9(11)14-8(4)7(3)10-15(5,12)13/h7-8,10H,1H2,2-5H3
InChIKeyUUARAUHXGPYOFV-UHFFFAOYSA-N
XLogP0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.43
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

[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
1-fluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
CID 150023778
propan-2-yl 2-methylprop-2-enoate
CID 146421311
calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
[2-(ethylamino)-1-methoxysulfonylpropyl] 2-methylprop-2-enoate
CID 118276877
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
lithium 2-(2-methylprop-2-enoyloxy)propane-1-sulfonate
CID 122610801
3-methoxycarbonyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 87140366

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate (CID 139973187) is 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(C)NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate?
The InChIKey is UUARAUHXGPYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-6(2)9(11)14-8(4)7(3)10-15(5,12)13/h7-8,10H,1H2,2-5H3.
What are the key properties of 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate?
3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate has a molecular weight of 235.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139973187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).