5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide

C13H22N4O3S — CID 106240943

IUPAC5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
SMILESCCCNc1ncccc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C13H22N4O3S/c1-2-8-15-13-11(6-5-9-16-13)21(19,20)17-10-4-3-7-12(14)18/h5-6,9,17H,2-4,7-8,10H2,1H3,(H2,14,18)(H,15,16)
InChIKeyDQRJWCSCWHPYIS-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.84
Rot. Bonds10

About 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide

5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide (PubChem CID 106240943) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
PubChem CID106240943
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
SMILESCCCNc1ncccc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C13H22N4O3S/c1-2-8-15-13-11(6-5-9-16-13)21(19,20)17-10-4-3-7-12(14)18/h5-6,9,17H,2-4,7-8,10H2,1H3,(H2,14,18)(H,15,16)
InChIKeyDQRJWCSCWHPYIS-UHFFFAOYSA-N
XLogP0.84
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106240994
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
CID 55043650
N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812
2-[(2-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 43545765

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide?
The IUPAC name of 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide (CID 106240943) is 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide.
What is the SMILES notation for 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide?
The canonical SMILES for 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide is CCCNc1ncccc1S(=O)(=O)NCCCCC(N)=O.
What is the InChIKey of 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide?
The InChIKey is DQRJWCSCWHPYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-8-15-13-11(6-5-9-16-13)21(19,20)17-10-4-3-7-12(14)18/h5-6,9,17H,2-4,7-8,10H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide?
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide has a molecular weight of 314.41 g/mol, XLogP of 0.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide is sourced from PubChem (CID 106240943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).