N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C13H18N4O2S — CID 104972664

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC[C@@H]1CCCN1)c1c[nH]c2ncccc12
InChIInChI=1S/C13H18N4O2S/c18-20(19,17-8-5-10-3-1-6-14-10)12-9-16-13-11(12)4-2-7-15-13/h2,4,7,9-10,14,17H,1,3,5-6,8H2,(H,15,16)/t10-/m0/s1
InChIKeyCQLJPXKICBJMTC-JTQLQIEISA-N
MW294.38 g/mol
LogP0.98
Rot. Bonds5

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 104972664) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID104972664
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC[C@@H]1CCCN1)c1c[nH]c2ncccc12
InChIInChI=1S/C13H18N4O2S/c18-20(19,17-8-5-10-3-1-6-14-10)12-9-16-13-11(12)4-2-7-15-13/h2,4,7,9-10,14,17H,1,3,5-6,8H2,(H,15,16)/t10-/m0/s1
InChIKeyCQLJPXKICBJMTC-JTQLQIEISA-N
XLogP0.98
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-2-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 114794123
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119979349
N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 120726819
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 104972614
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972561
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 104972664) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(NCC[C@@H]1CCCN1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is CQLJPXKICBJMTC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-20(19,17-8-5-10-3-1-6-14-10)12-9-16-13-11(12)4-2-7-15-13/h2,4,7,9-10,14,17H,1,3,5-6,8H2,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 104972664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).