methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate

C9H19NO4S — CID 55029002

IUPACmethyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO4S/c1-5-10(7-6-9(11)14-4)15(12,13)8(2)3/h8H,5-7H2,1-4H3
InChIKeyURUJHWIQDBJBDY-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.61
Rot. Bonds6

About methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate

methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate (PubChem CID 55029002) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate
PubChem CID55029002
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO4S/c1-5-10(7-6-9(11)14-4)15(12,13)8(2)3/h8H,5-7H2,1-4H3
InChIKeyURUJHWIQDBJBDY-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(1-pyrrolidinylsulfonyl)propanoate
CID 28466000
2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951737
Methyl 3-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584560
Methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584749
Methyl 3-[propylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584751
Methyl 3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902715
Methyl 2-methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902849
Methyl 3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83048181
Methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83059110
Ethyl 3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83060144
Methyl 2-(diethylsulfamoyl)propanoate
CID 11775769
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate (CID 55029002) is methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)C(C)C.
What is the InChIKey of methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate?
The InChIKey is URUJHWIQDBJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-5-10(7-6-9(11)14-4)15(12,13)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate?
methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate has a molecular weight of 237.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(propan-2-ylsulfonyl)amino]propanoate is sourced from PubChem (CID 55029002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).