N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C14H22N4O2S — CID 115317706

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C14H22N4O2S/c1-10(2)12(15)6-8-18(3)21(19,20)13-9-17-14-11(13)5-4-7-16-14/h4-5,7,9-10,12H,6,8,15H2,1-3H3,(H,16,17)
InChIKeyONYQWZOUDRGPDF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.56
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 115317706) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID115317706
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C14H22N4O2S/c1-10(2)12(15)6-8-18(3)21(19,20)13-9-17-14-11(13)5-4-7-16-14/h4-5,7,9-10,12H,6,8,15H2,1-3H3,(H,16,17)
InChIKeyONYQWZOUDRGPDF-UHFFFAOYSA-N
XLogP1.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119659375
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 56790971
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 66184781
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 166229392

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 115317706) is N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is ONYQWZOUDRGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(2)12(15)6-8-18(3)21(19,20)13-9-17-14-11(13)5-4-7-16-14/h4-5,7,9-10,12H,6,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 115317706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).