N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C15H22N4O2S — CID 96513793

IUPACN-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1
InChIInChI=1S/C15H22N4O2S/c1-10(2)19-8-11(3)13(9-19)18-22(20,21)14-7-17-15-12(14)5-4-6-16-15/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyAQHUPUBBJNMDGI-YPMHNXCESA-N
MW322.43 g/mol
LogP1.57
Rot. Bonds4

About N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 96513793) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID96513793
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1
InChIInChI=1S/C15H22N4O2S/c1-10(2)19-8-11(3)13(9-19)18-22(20,21)14-7-17-15-12(14)5-4-6-16-15/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyAQHUPUBBJNMDGI-YPMHNXCESA-N
XLogP1.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 120726819
N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119966914
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
1,3-dimethyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2,4-dioxopyrimidine-5-sulfonamide
CID 129425603
5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-3-amine
CID 79993772
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-quinolin-8-ylmethanesulfonamide
CID 129425381
3-(2,6-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63909044
3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
CID 79867718
(2S)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]propanoic acid
CID 125149524
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008
N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
CID 167781078

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 96513793) is N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1.
What is the InChIKey of N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is AQHUPUBBJNMDGI-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10(2)19-8-11(3)13(9-19)18-22(20,21)14-7-17-15-12(14)5-4-6-16-15/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 96513793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).