[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone

C18H25NO3S — CID 91918018

IUPAC[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C18H25NO3S/c20-17(15-4-10-23-13-15)19-7-5-18(6-8-19)11-16(3-9-22-18)21-12-14-1-2-14/h4,10,13-14,16H,1-3,5-9,11-12H2
InChIKeyMXQOUBGVHHBOKZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.33
Rot. Bonds4

About [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone (PubChem CID 91918018) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
PubChem CID91918018
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C18H25NO3S/c20-17(15-4-10-23-13-15)19-7-5-18(6-8-19)11-16(3-9-22-18)21-12-14-1-2-14/h4,10,13-14,16H,1-3,5-9,11-12H2
InChIKeyMXQOUBGVHHBOKZ-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone (CID 91918018) is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
The InChIKey is MXQOUBGVHHBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c20-17(15-4-10-23-13-15)19-7-5-18(6-8-19)11-16(3-9-22-18)21-12-14-1-2-14/h4,10,13-14,16H,1-3,5-9,11-12H2.
What are the key properties of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone?
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone has a molecular weight of 335.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91918018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).