3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide

C11H19N5O2S — CID 114813469

IUPAC3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cccnc1)S(=O)(=O)NCC
InChIInChI=1S/C11H19N5O2S/c1-2-15-19(17,18)16(7-5-11(12)13)9-10-4-3-6-14-8-10/h3-4,6,8,15H,2,5,7,9H2,1H3,(H3,12,13)
InChIKeyXIPDXCUXLBUNBQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.06
Rot. Bonds8

About 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide

3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide (PubChem CID 114813469) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
PubChem CID114813469
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cccnc1)S(=O)(=O)NCC
InChIInChI=1S/C11H19N5O2S/c1-2-15-19(17,18)16(7-5-11(12)13)9-10-4-3-6-14-8-10/h3-4,6,8,15H,2,5,7,9H2,1H3,(H3,12,13)
InChIKeyXIPDXCUXLBUNBQ-UHFFFAOYSA-N
XLogP0.06
TPSA112.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.06
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-[propylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
CID 114813470
3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
CID 114813467
methyl N-[(3-amino-3-iminopropyl)-(pyridin-3-ylmethyl)sulfamoyl]carbamate
CID 114467482
3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanethioamide
CID 114808064
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
3-[(5-chloropyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanimidamide
CID 105369067
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823

Frequently Asked Questions

What is the IUPAC name of 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide (CID 114813469) is 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(Cc1cccnc1)S(=O)(=O)NCC.
What is the InChIKey of 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
The InChIKey is XIPDXCUXLBUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-2-15-19(17,18)16(7-5-11(12)13)9-10-4-3-6-14-8-10/h3-4,6,8,15H,2,5,7,9H2,1H3,(H3,12,13).
What are the key properties of 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide has a molecular weight of 285.37 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 114813469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).