(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C15H21NO2S — CID 79921292

IUPAC(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCc1ccnc(C(O)C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C15H21NO2S/c1-11-2-5-16-13(8-11)14(17)12-3-6-18-15(9-12)4-7-19-10-15/h2,5,8,12,14,17H,3-4,6-7,9-10H2,1H3
InChIKeyOWNIAQSMYRTPQQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.73
Rot. Bonds2

About (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921292) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79921292
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCc1ccnc(C(O)C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C15H21NO2S/c1-11-2-5-16-13(8-11)14(17)12-3-6-18-15(9-12)4-7-19-10-15/h2,5,8,12,14,17H,3-4,6-7,9-10H2,1H3
InChIKeyOWNIAQSMYRTPQQ-UHFFFAOYSA-N
XLogP2.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
(2-methoxy-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823502
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631
(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
6-oxa-2-thiaspiro[4.5]decan-9-yl(thiophen-3-yl)methanol
CID 79900946
(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
(2-fluoro-4-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823530
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79913942
6-oxa-2-thiaspiro[4.5]decan-9-yl(thieno[3,2-b]pyridin-6-yl)methanol
CID 81153788

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79921292) is (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is Cc1ccnc(C(O)C2CCOC3(CCSC3)C2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is OWNIAQSMYRTPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-2-5-16-13(8-11)14(17)12-3-6-18-15(9-12)4-7-19-10-15/h2,5,8,12,14,17H,3-4,6-7,9-10H2,1H3.
What are the key properties of (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 279.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).