methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate

C10H21NO5S — CID 106169758

IUPACmethyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
SMILESCCC(C)(CCO)NS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-4-10(2,6-7-12)11-17(14,15)8-5-9(13)16-3/h11-12H,4-8H2,1-3H3
InChIKeyHWFZHLHAULYDQE-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.02
Rot. Bonds8

About methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate

methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate (PubChem CID 106169758) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
PubChem CID106169758
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Namemethyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
SMILESCCC(C)(CCO)NS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-4-10(2,6-7-12)11-17(14,15)8-5-9(13)16-3/h11-12H,4-8H2,1-3H3
InChIKeyHWFZHLHAULYDQE-UHFFFAOYSA-N
XLogP0.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
CID 106169682
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 106169938
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
methyl 3-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]propanoate
CID 106353436
methyl 3-ethylsulfonylpropanoate
CID 19377555
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoylmethyl]benzoic acid
CID 106168479
3-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106169596
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
methyl 4-[(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)sulfamoyl]butanoate
CID 54952425
ethyl 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]propanoate
CID 115310020
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate (CID 106169758) is methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate is CCC(C)(CCO)NS(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate?
The InChIKey is HWFZHLHAULYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-4-10(2,6-7-12)11-17(14,15)8-5-9(13)16-3/h11-12H,4-8H2,1-3H3.
What are the key properties of methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate?
methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate has a molecular weight of 267.35 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate is sourced from PubChem (CID 106169758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).