N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C14H21N5O2S — CID 99606758

IUPACN-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCC[C@@H]3CN)cc12
InChIInChI=1S/C14H21N5O2S/c1-9-12-6-11(8-16-14(12)19(2)17-9)22(20,21)18-13-5-3-4-10(13)7-15/h6,8,10,13,18H,3-5,7,15H2,1-2H3/t10-,13+/m1/s1
InChIKeyZNAPWGWPFXMIOR-MFKMUULPSA-N
MW323.42 g/mol
LogP0.68
Rot. Bonds4

About N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 99606758) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID99606758
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCC[C@@H]3CN)cc12
InChIInChI=1S/C14H21N5O2S/c1-9-12-6-11(8-16-14(12)19(2)17-9)22(20,21)18-13-5-3-4-10(13)7-15/h6,8,10,13,18H,3-5,7,15H2,1-2H3/t10-,13+/m1/s1
InChIKeyZNAPWGWPFXMIOR-MFKMUULPSA-N
XLogP0.68
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 99606758) is N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCC[C@@H]3CN)cc12.
What is the InChIKey of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is ZNAPWGWPFXMIOR-MFKMUULPSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9-12-6-11(8-16-14(12)19(2)17-9)22(20,21)18-13-5-3-4-10(13)7-15/h6,8,10,13,18H,3-5,7,15H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 99606758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).