(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide

C12H21N3O3S — CID 129472884

IUPAC(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
SMILESCOC[C@H](C)S(=O)(=O)NC[C@H]1CCc2nccn2C1
InChIInChI=1S/C12H21N3O3S/c1-10(9-18-2)19(16,17)14-7-11-3-4-12-13-5-6-15(12)8-11/h5-6,10-11,14H,3-4,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyXUGHVEXKTQUMNE-WDEREUQCSA-N
MW287.38 g/mol
LogP0.40
Rot. Bonds6

About (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide

(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide (PubChem CID 129472884) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
PubChem CID129472884
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
SMILESCOC[C@H](C)S(=O)(=O)NC[C@H]1CCc2nccn2C1
InChIInChI=1S/C12H21N3O3S/c1-10(9-18-2)19(16,17)14-7-11-3-4-12-13-5-6-15(12)8-11/h5-6,10-11,14H,3-4,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyXUGHVEXKTQUMNE-WDEREUQCSA-N
XLogP0.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
The IUPAC name of (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide (CID 129472884) is (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide is COC[C@H](C)S(=O)(=O)NC[C@H]1CCc2nccn2C1.
What is the InChIKey of (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
The InChIKey is XUGHVEXKTQUMNE-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(9-18-2)19(16,17)14-7-11-3-4-12-13-5-6-15(12)8-11/h5-6,10-11,14H,3-4,7-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide?
(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 129472884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).