(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C13H17ClO2S2 — CID 79913942

IUPAC(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H17ClO2S2/c14-11-2-1-10(18-11)12(15)9-3-5-16-13(7-9)4-6-17-8-13/h1-2,9,12,15H,3-8H2
InChIKeyMYQHZSCLBFFPGC-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.74
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79913942) has the molecular formula C13H17ClO2S2 and a molecular weight of 304.86 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79913942
Molecular FormulaC13H17ClO2S2
Molecular Weight304.86 g/mol
Exact Mass304.04
IUPAC Name(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H17ClO2S2/c14-11-2-1-10(18-11)12(15)9-3-5-16-13(7-9)4-6-17-8-13/h1-2,9,12,15H,3-8H2
InChIKeyMYQHZSCLBFFPGC-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorofuran-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106693916
(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
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
6-oxa-2-thiaspiro[4.5]decan-9-yl-(2,3,4-trifluorophenyl)methanol
CID 115823440
(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
(2-methoxy-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823502
(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016183

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79913942) is (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(c1ccc(Cl)s1)C1CCOC2(CCSC2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is MYQHZSCLBFFPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S2/c14-11-2-1-10(18-11)12(15)9-3-5-16-13(7-9)4-6-17-8-13/h1-2,9,12,15H,3-8H2.
What are the key properties of (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 304.86 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79913942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).