N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

C17H28N4O3S — CID 129000333

IUPACN-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCC1CCN(C(=O)CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)CC1
InChIInChI=1S/C17H28N4O3S/c1-14-6-9-19(10-7-14)17(22)13-21(25(2,23)24)12-15-11-20-8-4-3-5-16(20)18-15/h11,14H,3-10,12-13H2,1-2H3
InChIKeyKJTKGEDAWHOTAY-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 129000333) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
PubChem CID129000333
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCC1CCN(C(=O)CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)CC1
InChIInChI=1S/C17H28N4O3S/c1-14-6-9-19(10-7-14)17(22)13-21(25(2,23)24)12-15-11-20-8-4-3-5-16(20)18-15/h11,14H,3-10,12-13H2,1-2H3
InChIKeyKJTKGEDAWHOTAY-UHFFFAOYSA-N
XLogP1.24
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (CID 129000333) is N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is CC1CCN(C(=O)CN(Cc2cn3c(n2)CCCC3)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is KJTKGEDAWHOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-14-6-9-19(10-7-14)17(22)13-21(25(2,23)24)12-15-11-20-8-4-3-5-16(20)18-15/h11,14H,3-10,12-13H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 129000333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).