methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate

C10H18ClNO4S — CID 103493513

IUPACmethyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
SMILESCOC(=O)C(Cl)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H18ClNO4S/c1-16-10(13)9(11)7-12-17(14,15)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3
InChIKeyGHGUEJCQGVZSMF-UHFFFAOYSA-N
MW283.78 g/mol
LogP1.02
Rot. Bonds5

About methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate

methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate (PubChem CID 103493513) has the molecular formula C10H18ClNO4S and a molecular weight of 283.78 g/mol. Its IUPAC name is methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
PubChem CID103493513
Molecular FormulaC10H18ClNO4S
Molecular Weight283.78 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
SMILESCOC(=O)C(Cl)CNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H18ClNO4S/c1-16-10(13)9(11)7-12-17(14,15)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3
InChIKeyGHGUEJCQGVZSMF-UHFFFAOYSA-N
XLogP1.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681
methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
CID 103493575
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
methyl 3-(cyclopropylsulfonylamino)-2-iodopropanoate
CID 103493669
methyl 2-chloro-3-(methanesulfonamido)propanoate
CID 103493482
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate?
The IUPAC name of methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate (CID 103493513) is methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate?
The canonical SMILES for methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate is COC(=O)C(Cl)CNS(=O)(=O)C1CCCCC1.
What is the InChIKey of methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate?
The InChIKey is GHGUEJCQGVZSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4S/c1-16-10(13)9(11)7-12-17(14,15)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3.
What are the key properties of methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate?
methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate has a molecular weight of 283.78 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate is sourced from PubChem (CID 103493513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).