methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate

C9H16INO4S — CID 103493575

IUPACmethyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
SMILESCOC(=O)C(I)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H16INO4S/c1-15-9(12)8(10)6-11-16(13,14)7-4-2-3-5-7/h7-8,11H,2-6H2,1H3
InChIKeyVXGZPSFNERYCPC-UHFFFAOYSA-N
MW361.20 g/mol
LogP0.82
Rot. Bonds5

About methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate

methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate (PubChem CID 103493575) has the molecular formula C9H16INO4S and a molecular weight of 361.20 g/mol. Its IUPAC name is methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
PubChem CID103493575
Molecular FormulaC9H16INO4S
Molecular Weight361.20 g/mol
Exact Mass360.98
IUPAC Namemethyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
SMILESCOC(=O)C(I)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H16INO4S/c1-15-9(12)8(10)6-11-16(13,14)7-4-2-3-5-7/h7-8,11H,2-6H2,1H3
InChIKeyVXGZPSFNERYCPC-UHFFFAOYSA-N
XLogP0.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(cyclopropylsulfonylamino)-2-iodopropanoate
CID 103493669
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681
methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
CID 103493513
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
methyl 2-iodo-3-(propan-2-ylsulfonylamino)propanoate
CID 103493657
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
CID 113242615
methyl 2-bromo-3-(oxan-4-ylsulfonylamino)propanoate
CID 103493673
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
2-(cyclohexylsulfonylamino)acetamide
CID 64591564

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate?
The IUPAC name of methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate (CID 103493575) is methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate.
What is the SMILES notation for methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate?
The canonical SMILES for methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate is COC(=O)C(I)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate?
The InChIKey is VXGZPSFNERYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO4S/c1-15-9(12)8(10)6-11-16(13,14)7-4-2-3-5-7/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate?
methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate has a molecular weight of 361.20 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate is sourced from PubChem (CID 103493575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).