2-(quinolin-5-ylsulfonylamino)propanimidamide

C12H14N4O2S — CID 104774334

IUPAC2-(quinolin-5-ylsulfonylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C12H14N4O2S/c1-8(12(13)14)16-19(17,18)11-6-2-5-10-9(11)4-3-7-15-10/h2-8,16H,1H3,(H3,13,14)
InChIKeyLUBJNCYYJDUBQP-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.84
Rot. Bonds4

About 2-(quinolin-5-ylsulfonylamino)propanimidamide

2-(quinolin-5-ylsulfonylamino)propanimidamide (PubChem CID 104774334) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(quinolin-5-ylsulfonylamino)propanimidamide.

Molecular Properties

Compound Name2-(quinolin-5-ylsulfonylamino)propanimidamide
PubChem CID104774334
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-(quinolin-5-ylsulfonylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C12H14N4O2S/c1-8(12(13)14)16-19(17,18)11-6-2-5-10-9(11)4-3-7-15-10/h2-8,16H,1H3,(H3,13,14)
InChIKeyLUBJNCYYJDUBQP-UHFFFAOYSA-N
XLogP0.84
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.84
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

(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
2-(quinolin-5-ylsulfonylamino)oxyacetamide
CID 113451705
N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-5-ylsulfonylamino)propanimidamide?
The IUPAC name of 2-(quinolin-5-ylsulfonylamino)propanimidamide (CID 104774334) is 2-(quinolin-5-ylsulfonylamino)propanimidamide.
What is the SMILES notation for 2-(quinolin-5-ylsulfonylamino)propanimidamide?
The canonical SMILES for 2-(quinolin-5-ylsulfonylamino)propanimidamide is [H]/N=C(\N)C(C)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of 2-(quinolin-5-ylsulfonylamino)propanimidamide?
The InChIKey is LUBJNCYYJDUBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(12(13)14)16-19(17,18)11-6-2-5-10-9(11)4-3-7-15-10/h2-8,16H,1H3,(H3,13,14).
What are the key properties of 2-(quinolin-5-ylsulfonylamino)propanimidamide?
2-(quinolin-5-ylsulfonylamino)propanimidamide has a molecular weight of 278.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-5-ylsulfonylamino)propanimidamide is sourced from PubChem (CID 104774334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).