8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane

C14H21NOS — CID 113294388

IUPAC8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
SMILESCc1ccsc1C1CNCC2(CCCC2)CO1
InChIInChI=1S/C14H21NOS/c1-11-4-7-17-13(11)12-8-15-9-14(10-16-12)5-2-3-6-14/h4,7,12,15H,2-3,5-6,8-10H2,1H3
InChIKeyGYIGMGKTBYPMBW-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.28
Rot. Bonds1

About 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane

8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 113294388) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
PubChem CID113294388
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
SMILESCc1ccsc1C1CNCC2(CCCC2)CO1
InChIInChI=1S/C14H21NOS/c1-11-4-7-17-13(11)12-8-15-9-14(10-16-12)5-2-3-6-14/h4,7,12,15H,2-3,5-6,8-10H2,1H3
InChIKeyGYIGMGKTBYPMBW-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115362032
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968945
(3R)-3-(3-methylthiophen-2-yl)piperidine
CID 93478534
9-(ethoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968922
6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde
CID 126983872

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane (CID 113294388) is 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane is Cc1ccsc1C1CNCC2(CCCC2)CO1.
What is the InChIKey of 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is GYIGMGKTBYPMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-4-7-17-13(11)12-8-15-9-14(10-16-12)5-2-3-6-14/h4,7,12,15H,2-3,5-6,8-10H2,1H3.
What are the key properties of 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 251.39 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 113294388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).