N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

C14H20N4O2S — CID 106073264

IUPACN-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2ccc(C)nc2)c[nH]1
InChIInChI=1S/C14H20N4O2S/c1-3-6-15-8-13-7-14(10-17-13)21(19,20)18-12-5-4-11(2)16-9-12/h4-5,7,9-10,15,17-18H,3,6,8H2,1-2H3
InChIKeyKKYUPTGOMMWHNF-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.02
Rot. Bonds7

About N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106073264) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106073264
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2ccc(C)nc2)c[nH]1
InChIInChI=1S/C14H20N4O2S/c1-3-6-15-8-13-7-14(10-17-13)21(19,20)18-12-5-4-11(2)16-9-12/h4-5,7,9-10,15,17-18H,3,6,8H2,1-2H3
InChIKeyKKYUPTGOMMWHNF-UHFFFAOYSA-N
XLogP2.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106061086
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
5-(propylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068070
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
N-(2-imidazol-1-ylethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106018145
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106055691

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106073264) is N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2ccc(C)nc2)c[nH]1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is KKYUPTGOMMWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-6-15-8-13-7-14(10-17-13)21(19,20)18-12-5-4-11(2)16-9-12/h4-5,7,9-10,15,17-18H,3,6,8H2,1-2H3.
What are the key properties of N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106073264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).