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

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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).