2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

C19H29NO3S — CID 131649957

IUPAC2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccsc1CN1CC2(CC(OCC3CCOCC3)CCO2)C1
InChIInChI=1S/C19H29NO3S/c1-15-5-9-24-18(15)11-20-13-19(14-20)10-17(4-8-23-19)22-12-16-2-6-21-7-3-16/h5,9,16-17H,2-4,6-8,10-14H2,1H3
InChIKeyPAMUKMOEFUFJLN-UHFFFAOYSA-N
MW351.51 g/mol
LogP3.23
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane

2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131649957) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131649957
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC Name2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccsc1CN1CC2(CC(OCC3CCOCC3)CCO2)C1
InChIInChI=1S/C19H29NO3S/c1-15-5-9-24-18(15)11-20-13-19(14-20)10-17(4-8-23-19)22-12-16-2-6-21-7-3-16/h5,9,16-17H,2-4,6-8,10-14H2,1H3
InChIKeyPAMUKMOEFUFJLN-UHFFFAOYSA-N
XLogP3.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124912592
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131663586
(8R)-2-(furan-3-ylmethyl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805158
(3R,5S)-3-(cyclopropylmethoxy)-7-[(3-methylthiophen-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97419940
(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124812434
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124816647
2-[(5-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155835158
(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124810926
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344
furan-3-yl-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797123
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane (CID 131649957) is 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is Cc1ccsc1CN1CC2(CC(OCC3CCOCC3)CCO2)C1.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is PAMUKMOEFUFJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-15-5-9-24-18(15)11-20-13-19(14-20)10-17(4-8-23-19)22-12-16-2-6-21-7-3-16/h5,9,16-17H,2-4,6-8,10-14H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane?
2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 351.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131649957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).