1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide

C13H20N4O3S — CID 56754663

IUPAC1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cnc2n1CCCC2
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)17-8-4-5-10(17)13(18)15-12-9-14-11-6-2-3-7-16(11)12/h9-10H,2-8H2,1H3,(H,15,18)
InChIKeyFZUHXFMRSZUOEB-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.58
Rot. Bonds3

About 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 56754663) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide
PubChem CID56754663
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cnc2n1CCCC2
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)17-8-4-5-10(17)13(18)15-12-9-14-11-6-2-3-7-16(11)12/h9-10H,2-8H2,1H3,(H,15,18)
InChIKeyFZUHXFMRSZUOEB-UHFFFAOYSA-N
XLogP0.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide (CID 56754663) is 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1cnc2n1CCCC2.
What is the InChIKey of 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is FZUHXFMRSZUOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)17-8-4-5-10(17)13(18)15-12-9-14-11-6-2-3-7-16(11)12/h9-10H,2-8H2,1H3,(H,15,18).
What are the key properties of 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56754663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).