4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol

C14H25NO2S — CID 103983033

IUPAC4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCCNCC1
InChIInChI=1S/C14H25NO2S/c16-14(3-1-6-15-7-4-14)12-2-8-17-13(10-12)5-9-18-11-13/h12,15-16H,1-11H2
InChIKeyWYJAQLVUWXJBKI-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.79
Rot. Bonds1

About 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol

4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol (PubChem CID 103983033) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
PubChem CID103983033
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCCNCC1
InChIInChI=1S/C14H25NO2S/c16-14(3-1-6-15-7-4-14)12-2-8-17-13(10-12)5-9-18-11-13/h12,15-16H,1-11H2
InChIKeyWYJAQLVUWXJBKI-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepan-4-ol
CID 103982929
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912378
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-3-ol
CID 79902057
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
CID 79912308

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol?
The IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol (CID 103983033) is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol.
What is the SMILES notation for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol?
The canonical SMILES for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol is OC1(C2CCOC3(CCSC3)C2)CCCNCC1.
What is the InChIKey of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol?
The InChIKey is WYJAQLVUWXJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c16-14(3-1-6-15-7-4-14)12-2-8-17-13(10-12)5-9-18-11-13/h12,15-16H,1-11H2.
What are the key properties of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol?
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol has a molecular weight of 271.43 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol is sourced from PubChem (CID 103983033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).