2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide

C14H23N3O3S — CID 129340231

IUPAC2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H23N3O3S/c18-21(19,9-4-13-2-1-8-20-13)16-11-12-3-6-17-7-5-15-14(17)10-12/h5,7,12-13,16H,1-4,6,8-11H2/t12-,13+/m0/s1
InChIKeyXBYOFKCPQZLLNU-QWHCGFSZSA-N
MW313.42 g/mol
LogP0.93
Rot. Bonds6

About 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide

2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide (PubChem CID 129340231) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide
PubChem CID129340231
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide
SMILESO=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C14H23N3O3S/c18-21(19,9-4-13-2-1-8-20-13)16-11-12-3-6-17-7-5-15-14(17)10-12/h5,7,12-13,16H,1-4,6,8-11H2/t12-,13+/m0/s1
InChIKeyXBYOFKCPQZLLNU-QWHCGFSZSA-N
XLogP0.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)ethanesulfonamide
CID 128992126
1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
CID 129338694
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
N-methyl-2-[(2S)-oxan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]acetamide
CID 129333400
4-(2-oxopyrrolidin-1-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129329458
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
4-chloro-3-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129003002
5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129332677
2-(oxolan-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)ethanesulfonamide
CID 128996643
5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
2-(oxolan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]ethanesulfonamide
CID 71969884
1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 129336915

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide (CID 129340231) is 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide is O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide?
The InChIKey is XBYOFKCPQZLLNU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-21(19,9-4-13-2-1-8-20-13)16-11-12-3-6-17-7-5-15-14(17)10-12/h5,7,12-13,16H,1-4,6,8-11H2/t12-,13+/m0/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide?
2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 129340231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).