3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

C18H27NO2S — CID 131645179

IUPAC3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(CN2CCC3(CC2)CC(OCC2CC2)CO3)s1
InChIInChI=1S/C18H27NO2S/c1-14-2-5-17(22-14)11-19-8-6-18(7-9-19)10-16(13-21-18)20-12-15-3-4-15/h2,5,15-16H,3-4,6-13H2,1H3
InChIKeyKIWSMMAOOAWICO-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.61
Rot. Bonds5

About 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131645179) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID131645179
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(CN2CCC3(CC2)CC(OCC2CC2)CO3)s1
InChIInChI=1S/C18H27NO2S/c1-14-2-5-17(22-14)11-19-8-6-18(7-9-19)10-16(13-21-18)20-12-15-3-4-15/h2,5,15-16H,3-4,6-13H2,1H3
InChIKeyKIWSMMAOOAWICO-UHFFFAOYSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123
(3R,5R)-9-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decane
CID 98813564
(3R,5S)-3-(cyclopropylmethoxy)-7-[(3-methylthiophen-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97419940
(3S)-3-(cyclopropylmethoxy)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418851
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
(3S)-3-(cyclobutylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419175
(3S)-3-(cyclobutylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419173
3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97477567
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 131645179) is 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is Cc1ccc(CN2CCC3(CC2)CC(OCC2CC2)CO3)s1.
What is the InChIKey of 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is KIWSMMAOOAWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c1-14-2-5-17(22-14)11-19-8-6-18(7-9-19)10-16(13-21-18)20-12-15-3-4-15/h2,5,15-16H,3-4,6-13H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 321.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131645179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).