methyl 6-(methanesulfonamido)hexanoate

C8H17NO4S — CID 7996494

IUPACmethyl 6-(methanesulfonamido)hexanoate
SMILESCOC(=O)CCCCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-13-8(10)6-4-3-5-7-9-14(2,11)12/h9H,3-7H2,1-2H3
InChIKeyWGXLTJNYKHAESD-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds7

About methyl 6-(methanesulfonamido)hexanoate

methyl 6-(methanesulfonamido)hexanoate (PubChem CID 7996494) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl 6-(methanesulfonamido)hexanoate.

Molecular Properties

Compound Namemethyl 6-(methanesulfonamido)hexanoate
PubChem CID7996494
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl 6-(methanesulfonamido)hexanoate
SMILESCOC(=O)CCCCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-13-8(10)6-4-3-5-7-9-14(2,11)12/h9H,3-7H2,1-2H3
InChIKeyWGXLTJNYKHAESD-UHFFFAOYSA-N
XLogP0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(methanesulfonamido)hexanoate?
The IUPAC name of methyl 6-(methanesulfonamido)hexanoate (CID 7996494) is methyl 6-(methanesulfonamido)hexanoate.
What is the SMILES notation for methyl 6-(methanesulfonamido)hexanoate?
The canonical SMILES for methyl 6-(methanesulfonamido)hexanoate is COC(=O)CCCCCNS(C)(=O)=O.
What is the InChIKey of methyl 6-(methanesulfonamido)hexanoate?
The InChIKey is WGXLTJNYKHAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-13-8(10)6-4-3-5-7-9-14(2,11)12/h9H,3-7H2,1-2H3.
What are the key properties of methyl 6-(methanesulfonamido)hexanoate?
methyl 6-(methanesulfonamido)hexanoate has a molecular weight of 223.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methanesulfonamido)hexanoate is sourced from PubChem (CID 7996494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).