methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate

C10H20N2O4S — CID 18330201

IUPACmethyl 3-amino-2-(cyclohexylsulfonylamino)propanoate
SMILESCOC(=O)C(CN)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-16-10(13)9(7-11)12-17(14,15)8-5-3-2-4-6-8/h8-9,12H,2-7,11H2,1H3
InChIKeyMIOHEQWWLWEDNA-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.26
Rot. Bonds5

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

methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate (PubChem CID 18330201) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(cyclohexylsulfonylamino)propanoate
PubChem CID18330201
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-amino-2-(cyclohexylsulfonylamino)propanoate
SMILESCOC(=O)C(CN)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20N2O4S/c1-16-10(13)9(7-11)12-17(14,15)8-5-3-2-4-6-8/h8-9,12H,2-7,11H2,1H3
InChIKeyMIOHEQWWLWEDNA-UHFFFAOYSA-N
XLogP-0.26
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate?
The IUPAC name of methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate (CID 18330201) is methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate is COC(=O)C(CN)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate?
The InChIKey is MIOHEQWWLWEDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-10(13)9(7-11)12-17(14,15)8-5-3-2-4-6-8/h8-9,12H,2-7,11H2,1H3.
What are the key properties of methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate?
methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate has a molecular weight of 264.35 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(cyclohexylsulfonylamino)propanoate is sourced from PubChem (CID 18330201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).