N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C15H22N4O3S — CID 128975358

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2c[nH]c3ncccc23)N(C)C1
InChIInChI=1S/C15H22N4O3S/c1-18-10-12(22-3)7-11(18)9-19(2)23(20,21)14-8-17-15-13(14)5-4-6-16-15/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyDYPYTDZZARIIAA-RYUDHWBXSA-N
MW338.43 g/mol
LogP0.90
Rot. Bonds5

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 128975358) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID128975358
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2c[nH]c3ncccc23)N(C)C1
InChIInChI=1S/C15H22N4O3S/c1-18-10-12(22-3)7-11(18)9-19(2)23(20,21)14-8-17-15-13(14)5-4-6-16-15/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyDYPYTDZZARIIAA-RYUDHWBXSA-N
XLogP0.90
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 118911477
CID 118911477
CID 126643886
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CID 134537161
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CID 134537177
CID 134537177
CID 56837044
CID 56837044
CID 56848835
CID 56848835
CID 56848889
CID 56848889
CID 56848891
CID 56848891
CID 56848944
CID 56848944
CID 56848945
CID 56848945
CID 56848946
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CID 89743527
CID 89743527

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 128975358) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2c[nH]c3ncccc23)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is DYPYTDZZARIIAA-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-18-10-12(22-3)7-11(18)9-19(2)23(20,21)14-8-17-15-13(14)5-4-6-16-15/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 128975358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).