methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate

C10H19NO5S — CID 113356681

IUPACmethyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H19NO5S/c1-16-10(13)9(12)7-11-17(14,15)8-5-3-2-4-6-8/h8-9,11-12H,2-7H2,1H3
InChIKeyYVMSMNZPDBKNDD-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.23
Rot. Bonds5

About methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate

methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate (PubChem CID 113356681) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
PubChem CID113356681
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H19NO5S/c1-16-10(13)9(12)7-11-17(14,15)8-5-3-2-4-6-8/h8-9,11-12H,2-7H2,1H3
InChIKeyYVMSMNZPDBKNDD-UHFFFAOYSA-N
XLogP-0.23
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
CID 103493513
methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
CID 103493575
methyl 3-(cyclopropylsulfonylamino)-2-iodopropanoate
CID 103493669
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
CID 113242615
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
2-(cyclohexylsulfonylamino)acetamide
CID 64591564
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate (CID 113356681) is methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate is COC(=O)C(O)CNS(=O)(=O)C1CCCCC1.
What is the InChIKey of methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate?
The InChIKey is YVMSMNZPDBKNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-16-10(13)9(12)7-11-17(14,15)8-5-3-2-4-6-8/h8-9,11-12H,2-7H2,1H3.
What are the key properties of methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate?
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate has a molecular weight of 265.33 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate is sourced from PubChem (CID 113356681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).