(6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

C16H19N3O3S — CID 154871131

IUPAC(6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2c(n1)[C@H](C)C[C@H](C(=O)NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H19N3O3S/c1-11-8-13(10-19-9-12(2)17-15(11)19)16(20)18-23(21,22)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyRMWJCNRKSRVSPI-YPMHNXCESA-N
MW333.41 g/mol
LogP1.82
Rot. Bonds3

About (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

(6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 154871131) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID154871131
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2c(n1)[C@H](C)C[C@H](C(=O)NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H19N3O3S/c1-11-8-13(10-19-9-12(2)17-15(11)19)16(20)18-23(21,22)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3,(H,18,20)/t11-,13+/m1/s1
InChIKeyRMWJCNRKSRVSPI-YPMHNXCESA-N
XLogP1.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (CID 154871131) is (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)NS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RMWJCNRKSRVSPI-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-8-13(10-19-9-12(2)17-15(11)19)16(20)18-23(21,22)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
(6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-N-(benzenesulfonyl)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 154871131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).