N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide

C8H11N3O2S — CID 79673500

IUPACN-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ccc(N)nc1
InChIInChI=1S/C8H11N3O2S/c1-2-5-14(12,13)11-7-3-4-8(9)10-6-7/h2-4,6,11H,1,5H2,(H2,9,10)
InChIKeyKSUDTYPQRDWTPS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.59
Rot. Bonds4

About N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide

N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide (PubChem CID 79673500) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide
PubChem CID79673500
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ccc(N)nc1
InChIInChI=1S/C8H11N3O2S/c1-2-5-14(12,13)11-7-3-4-8(9)10-6-7/h2-4,6,11H,1,5H2,(H2,9,10)
InChIKeyKSUDTYPQRDWTPS-UHFFFAOYSA-N
XLogP0.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-(6-amino-3-pyridinyl)methanesulfonamide;hydrochloride
CID 155970466
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 778782
1-[4-(prop-2-enylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557954
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
N-(6-amino-3-pyridinyl)-3,5-dichlorobenzenesulfonamide
CID 55025804
N-[4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ene-1-sulfonamide
CID 89121591
N-(6-amino-3-pyridinyl)oxane-4-sulfonamide
CID 62047735
N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488
N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
2-chloro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79673875

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide (CID 79673500) is N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide?
The InChIKey is KSUDTYPQRDWTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-2-5-14(12,13)11-7-3-4-8(9)10-6-7/h2-4,6,11H,1,5H2,(H2,9,10).
What are the key properties of N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide?
N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).