methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate

C10H21NO5S — CID 103836410

IUPACmethyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
SMILESCCCC(CCO)CNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-3-4-9(5-6-12)7-11-17(14,15)8-10(13)16-2/h9,11-12H,3-8H2,1-2H3
InChIKeyIOLFJZBEPRBPLE-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.12
Rot. Bonds9

About methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate

methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate (PubChem CID 103836410) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
PubChem CID103836410
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
SMILESCCCC(CCO)CNS(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H21NO5S/c1-3-4-9(5-6-12)7-11-17(14,15)8-10(13)16-2/h9,11-12H,3-8H2,1-2H3
InChIKeyIOLFJZBEPRBPLE-UHFFFAOYSA-N
XLogP-0.12
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
methyl 3-(2-propylpentylsulfamoylamino)propanoate
CID 25258362
N-[2-(2-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
3-[(dipropylsulfamoylamino)methyl]-1-hydroxyhexane
CID 103836357
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
CID 103836404
methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate?
The IUPAC name of methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate (CID 103836410) is methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate is CCCC(CCO)CNS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate?
The InChIKey is IOLFJZBEPRBPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-3-4-9(5-6-12)7-11-17(14,15)8-10(13)16-2/h9,11-12H,3-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate?
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate has a molecular weight of 267.35 g/mol, XLogP of -0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate is sourced from PubChem (CID 103836410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).