[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate

C11H19NO4S — CID 58980503

IUPAC[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H19NO4S/c1-8(2)11(13)16-10-6-4-9(5-7-10)12-17(3,14)15/h9-10,12H,1,4-7H2,2-3H3
InChIKeyGHULUCSDPHYCNS-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.97
Rot. Bonds4

About [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate

[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 58980503) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate
PubChem CID58980503
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H19NO4S/c1-8(2)11(13)16-10-6-4-9(5-7-10)12-17(3,14)15/h9-10,12H,1,4-7H2,2-3H3
InChIKeyGHULUCSDPHYCNS-UHFFFAOYSA-N
XLogP0.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.97
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

[4-(Trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate
CID 58980488
2-[(Trifluoromethylsulfonyl)amino]cyclohexyl methacrylate
CID 58980505
[4-(Methanesulfonamido)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
CID 58980519
[4-(Trifluoromethylsulfonylamino)cyclohexyl] 2-(trifluoromethyl)prop-2-enoate
CID 58980522
[4-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate
CID 87834440
(4-Aminocyclohexyl) 2-methylprop-2-enoate
CID 22033859
2-[(Methanesulfonyl)amino]cyclohexyl 2-methylprop-2-enoate
CID 58980487
4-[(Methanesulfonyl)amino]cyclohexyl prop-2-enoate
CID 58980492
[3-(Methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate
CID 58980498
[3-(Ethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate
CID 58980502
[3-(Methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
CID 58980511
2-[(Methanesulfonyl)amino]cyclohexyl prop-2-enoate
CID 58980514

Frequently Asked Questions

What is the IUPAC name of [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate (CID 58980503) is [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is GHULUCSDPHYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-8(2)11(13)16-10-6-4-9(5-7-10)12-17(3,14)15/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate?
[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 261.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).