(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C15H22N2O2S — CID 79907456

IUPAC(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cncn1C1CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H22N2O2S/c18-14(13-8-16-10-17(13)12-1-2-12)11-3-5-19-15(7-11)4-6-20-9-15/h8,10-12,14,18H,1-7,9H2
InChIKeyYFJASLISNMLVDN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.55
Rot. Bonds3

About (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79907456) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79907456
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cncn1C1CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H22N2O2S/c18-14(13-8-16-10-17(13)12-1-2-12)11-3-5-19-15(7-11)4-6-20-9-15/h8,10-12,14,18H,1-7,9H2
InChIKeyYFJASLISNMLVDN-UHFFFAOYSA-N
XLogP2.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 82895864
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757
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
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(4-bromo-2,6-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823429
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 79913885
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79913942
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
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 (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79907456) is (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(c1cncn1C1CC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is YFJASLISNMLVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-14(13-8-16-10-17(13)12-1-2-12)11-3-5-19-15(7-11)4-6-20-9-15/h8,10-12,14,18H,1-7,9H2.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 294.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79907456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).