4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide

C13H20N4O2S — CID 97102063

IUPAC4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide
SMILESCc1cn2c(n1)CC[C@@H](NS(=O)(=O)CCCCC#N)C2
InChIInChI=1S/C13H20N4O2S/c1-11-9-17-10-12(5-6-13(17)15-11)16-20(18,19)8-4-2-3-7-14/h9,12,16H,2-6,8,10H2,1H3/t12-/m1/s1
InChIKeyZRBPLSQGSOATGK-GFCCVEGCSA-N
MW296.40 g/mol
LogP1.12
Rot. Bonds6

About 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide

4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide (PubChem CID 97102063) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide
PubChem CID97102063
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide
SMILESCc1cn2c(n1)CC[C@@H](NS(=O)(=O)CCCCC#N)C2
InChIInChI=1S/C13H20N4O2S/c1-11-9-17-10-12(5-6-13(17)15-11)16-20(18,19)8-4-2-3-7-14/h9,12,16H,2-6,8,10H2,1H3/t12-/m1/s1
InChIKeyZRBPLSQGSOATGK-GFCCVEGCSA-N
XLogP1.12
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide?
The IUPAC name of 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide (CID 97102063) is 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide.
What is the SMILES notation for 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide?
The canonical SMILES for 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide is Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)CCCCC#N)C2.
What is the InChIKey of 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide?
The InChIKey is ZRBPLSQGSOATGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-11-9-17-10-12(5-6-13(17)15-11)16-20(18,19)8-4-2-3-7-14/h9,12,16H,2-6,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide?
4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butane-1-sulfonamide is sourced from PubChem (CID 97102063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).