methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate

C10H21NO5S — CID 54951714

IUPACmethyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
SMILESCCCCN(CCO)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-3-4-6-11(7-8-12)17(14,15)9-5-10(13)16-2/h12H,3-9H2,1-2H3
InChIKeyLCMMKRPVAAQJAG-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.03
Rot. Bonds9

About methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate

methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate (PubChem CID 54951714) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
PubChem CID54951714
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Namemethyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
SMILESCCCCN(CCO)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-3-4-6-11(7-8-12)17(14,15)9-5-10(13)16-2/h12H,3-9H2,1-2H3
InChIKeyLCMMKRPVAAQJAG-UHFFFAOYSA-N
XLogP-0.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
methyl 3-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]propanoate
CID 54992634
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452
methyl 3-ethylsulfonylpropanoate
CID 19377555
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
CID 82326450
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate (CID 54951714) is methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate is CCCCN(CCO)S(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate?
The InChIKey is LCMMKRPVAAQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-3-4-6-11(7-8-12)17(14,15)9-5-10(13)16-2/h12H,3-9H2,1-2H3.
What are the key properties of methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate?
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate has a molecular weight of 267.35 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).