3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide

C9H20N4O3S — CID 114813460

IUPAC3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)S(=O)(=O)NC1CC1
InChIInChI=1S/C9H20N4O3S/c1-16-7-6-13(5-4-9(10)11)17(14,15)12-8-2-3-8/h8,12H,2-7H2,1H3,(H3,10,11)
InChIKeyUCJAUYMYJIEQQO-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.74
Rot. Bonds9

About 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide

3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide (PubChem CID 114813460) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
PubChem CID114813460
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC Name3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)S(=O)(=O)NC1CC1
InChIInChI=1S/C9H20N4O3S/c1-16-7-6-13(5-4-9(10)11)17(14,15)12-8-2-3-8/h8,12H,2-7H2,1H3,(H3,10,11)
InChIKeyUCJAUYMYJIEQQO-UHFFFAOYSA-N
XLogP-0.74
TPSA108.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
CID 82842993
3-[cyclopropyl(2-methoxyethyl)amino]propanimidamide
CID 61451724
3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride
CID 119967262
3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
CID 114808211
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
CID 64989198
2-[ethyl(2-methoxyethylsulfamoyl)amino]ethanimidamide
CID 114816876
N'-hydroxy-3-[2-methoxyethyl(propylsulfamoyl)amino]propanimidamide
CID 104978456
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
CID 114383270
3-[(3,3-difluorocyclopentyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 114224130

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide (CID 114813460) is 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide?
The InChIKey is UCJAUYMYJIEQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-16-7-6-13(5-4-9(10)11)17(14,15)12-8-2-3-8/h8,12H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide?
3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 114813460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).