(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol

C14H19N3O4S — CID 98853522

IUPAC(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
SMILESCc1noc2ncc(S(=O)(=O)N3CCCC[C@H]3[C@H](C)O)cc12
InChIInChI=1S/C14H19N3O4S/c1-9-12-7-11(8-15-14(12)21-16-9)22(19,20)17-6-4-3-5-13(17)10(2)18/h7-8,10,13,18H,3-6H2,1-2H3/t10-,13-/m0/s1
InChIKeyIOTITMWBDJMWMB-GWCFXTLKSA-N
MW325.39 g/mol
LogP1.46
Rot. Bonds3

About (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol

(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol (PubChem CID 98853522) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
PubChem CID98853522
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
SMILESCc1noc2ncc(S(=O)(=O)N3CCCC[C@H]3[C@H](C)O)cc12
InChIInChI=1S/C14H19N3O4S/c1-9-12-7-11(8-15-14(12)21-16-9)22(19,20)17-6-4-3-5-13(17)10(2)18/h7-8,10,13,18H,3-6H2,1-2H3/t10-,13-/m0/s1
InChIKeyIOTITMWBDJMWMB-GWCFXTLKSA-N
XLogP1.46
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol (CID 98853522) is (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol is Cc1noc2ncc(S(=O)(=O)N3CCCC[C@H]3[C@H](C)O)cc12.
What is the InChIKey of (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol?
The InChIKey is IOTITMWBDJMWMB-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-12-7-11(8-15-14(12)21-16-9)22(19,20)17-6-4-3-5-13(17)10(2)18/h7-8,10,13,18H,3-6H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol?
(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol has a molecular weight of 325.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 98853522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).