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

C10H17N5O2S — CID 114813467

IUPAC3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cccnc1)S(=O)(=O)NC
InChIInChI=1S/C10H17N5O2S/c1-13-18(16,17)15(6-4-10(11)12)8-9-3-2-5-14-7-9/h2-3,5,7,13H,4,6,8H2,1H3,(H3,11,12)
InChIKeyJQEFNZGNLLNPNY-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.33
Rot. Bonds7

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

3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide (PubChem CID 114813467) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
PubChem CID114813467
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cccnc1)S(=O)(=O)NC
InChIInChI=1S/C10H17N5O2S/c1-13-18(16,17)15(6-4-10(11)12)8-9-3-2-5-14-7-9/h2-3,5,7,13H,4,6,8H2,1H3,(H3,11,12)
InChIKeyJQEFNZGNLLNPNY-UHFFFAOYSA-N
XLogP-0.33
TPSA112.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.33
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-[ethylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
CID 114813469
3-[propylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
CID 114813470
methyl N-[(3-amino-3-iminopropyl)-(pyridin-3-ylmethyl)sulfamoyl]carbamate
CID 114467482
3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanethioamide
CID 114808064
3-[(5-chloropyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanimidamide
CID 105369067
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139886
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide (CID 114813467) is 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(Cc1cccnc1)S(=O)(=O)NC.
What is the InChIKey of 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
The InChIKey is JQEFNZGNLLNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-13-18(16,17)15(6-4-10(11)12)8-9-3-2-5-14-7-9/h2-3,5,7,13H,4,6,8H2,1H3,(H3,11,12).
What are the key properties of 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide?
3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide has a molecular weight of 271.35 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 114813467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).