methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate

C10H22N2O4S — CID 65192511

IUPACmethyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
SMILESCCCC(CN)NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-3-5-9(8-11)12-17(14,15)7-4-6-10(13)16-2/h9,12H,3-8,11H2,1-2H3
InChIKeyXYEBHJFUDGDFGY-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.01
Rot. Bonds9

About methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate

methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate (PubChem CID 65192511) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
PubChem CID65192511
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
SMILESCCCC(CN)NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-3-5-9(8-11)12-17(14,15)7-4-6-10(13)16-2/h9,12H,3-8,11H2,1-2H3
InChIKeyXYEBHJFUDGDFGY-UHFFFAOYSA-N
XLogP-0.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
2-(1-aminopentan-2-ylsulfamoyl)acetic acid
CID 65193173
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
CID 61460199
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
CID 104935127
methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
CID 106022437

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate (CID 65192511) is methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate is CCCC(CN)NS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate?
The InChIKey is XYEBHJFUDGDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-5-9(8-11)12-17(14,15)7-4-6-10(13)16-2/h9,12H,3-8,11H2,1-2H3.
What are the key properties of methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate?
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate has a molecular weight of 266.36 g/mol, XLogP of -0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 65192511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).