methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate

C12H25N3O4S — CID 103731361

IUPACmethyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
SMILESCCN(CCNS(=O)(=O)N(C)CCC(=O)OC)C1CC1
InChIInChI=1S/C12H25N3O4S/c1-4-15(11-5-6-11)10-8-13-20(17,18)14(2)9-7-12(16)19-3/h11,13H,4-10H2,1-3H3
InChIKeyCHXVJOZUVLDDGI-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.20
Rot. Bonds10

About methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate

methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate (PubChem CID 103731361) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
PubChem CID103731361
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namemethyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
SMILESCCN(CCNS(=O)(=O)N(C)CCC(=O)OC)C1CC1
InChIInChI=1S/C12H25N3O4S/c1-4-15(11-5-6-11)10-8-13-20(17,18)14(2)9-7-12(16)19-3/h11,13H,4-10H2,1-3H3
InChIKeyCHXVJOZUVLDDGI-UHFFFAOYSA-N
XLogP-0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
methyl 3-[hex-5-ynylsulfamoyl(methyl)amino]propanoate
CID 113255942
methyl 3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl-methylamino]propanoate
CID 81039043
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate (CID 103731361) is methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate is CCN(CCNS(=O)(=O)N(C)CCC(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate?
The InChIKey is CHXVJOZUVLDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-15(11-5-6-11)10-8-13-20(17,18)14(2)9-7-12(16)19-3/h11,13H,4-10H2,1-3H3.
What are the key properties of methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate?
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate has a molecular weight of 307.42 g/mol, XLogP of -0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate is sourced from PubChem (CID 103731361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).