methyl 3-sulfamoylpentanoate

C6H13NO4S — CID 146609728

IUPACmethyl 3-sulfamoylpentanoate
SMILESCCC(CC(=O)OC)S(N)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-3-5(12(7,9)10)4-6(8)11-2/h5H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyUFUNHWZRQVKGJI-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.38
Rot. Bonds4

About methyl 3-sulfamoylpentanoate

methyl 3-sulfamoylpentanoate (PubChem CID 146609728) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 3-sulfamoylpentanoate.

Molecular Properties

Compound Namemethyl 3-sulfamoylpentanoate
PubChem CID146609728
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Namemethyl 3-sulfamoylpentanoate
SMILESCCC(CC(=O)OC)S(N)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-3-5(12(7,9)10)4-6(8)11-2/h5H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyUFUNHWZRQVKGJI-UHFFFAOYSA-N
XLogP-0.38
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl hexane-1,2,4-tricarboxylate
CID 58784992
1,4-dimethoxy-1,4-dioxobutane-2-sulfonate
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methyl 3-(aminomethyl)pentanoate
CID 66099134
2-ethyl-4-methoxy-4-oxobutanoate
CID 19842564
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl 4-amino-3-ethyl-4-methylpentanoate
CID 66099233
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
1-O-methyl 4-O-propyl 2-methoxysulfonylbutanedioate;4-O-methyl 1-O-propyl 2-methoxysulfonylbutanedioate
CID 91002470
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346

Frequently Asked Questions

What is the IUPAC name of methyl 3-sulfamoylpentanoate?
The IUPAC name of methyl 3-sulfamoylpentanoate (CID 146609728) is methyl 3-sulfamoylpentanoate.
What is the SMILES notation for methyl 3-sulfamoylpentanoate?
The canonical SMILES for methyl 3-sulfamoylpentanoate is CCC(CC(=O)OC)S(N)(=O)=O.
What is the InChIKey of methyl 3-sulfamoylpentanoate?
The InChIKey is UFUNHWZRQVKGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-3-5(12(7,9)10)4-6(8)11-2/h5H,3-4H2,1-2H3,(H2,7,9,10).
What are the key properties of methyl 3-sulfamoylpentanoate?
methyl 3-sulfamoylpentanoate has a molecular weight of 195.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-sulfamoylpentanoate is sourced from PubChem (CID 146609728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).