1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone

C19H27NO3S — CID 91918011

IUPAC1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H27NO3S/c21-18(11-16-4-10-24-14-16)20-7-5-19(6-8-20)12-17(3-9-23-19)22-13-15-1-2-15/h4,10,14-15,17H,1-3,5-9,11-13H2
InChIKeyFPDRPOWJIQHDLB-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.26
Rot. Bonds5

About 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone

1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone (PubChem CID 91918011) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone
PubChem CID91918011
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H27NO3S/c21-18(11-16-4-10-24-14-16)20-7-5-19(6-8-20)12-17(3-9-23-19)22-13-15-1-2-15/h4,10,14-15,17H,1-3,5-9,11-13H2
InChIKeyFPDRPOWJIQHDLB-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(3-Thienyl)propanoyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72853685
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](3-methyl-2-thienyl)methanone
CID 91907709
1-[4-(2-Methoxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-2-(3-thienyl)-1-ethanone
CID 91907733
1-[4-(Piperidin-1-YL)-1-oxa-9-azaspiro[5.5]undecan-9-YL]-2-(thiophen-3-YL)ethan-1-one
CID 91908263
(4-Methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methylthiophen-2-yl)methanone
CID 91917975
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](3-thienyl)methanone
CID 91918018
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-thienyl)methanone
CID 91918022
4-(2-Methoxyethoxy)-9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91918155
1-Cyclopropyl-3-ethyl-1-{9-[2-(thiophen-3-YL)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}urea
CID 124072925
1-Cyclopropyl-3-(propan-2-YL)-1-{9-[2-(thiophen-3-YL)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}urea
CID 124072931
N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]-2-(3-thienyl)acetamide
CID 91760151
1-[4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-thiophen-3-ylethanone
CID 131647788

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone (CID 91918011) is 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone?
The InChIKey is FPDRPOWJIQHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c21-18(11-16-4-10-24-14-16)20-7-5-19(6-8-20)12-17(3-9-23-19)22-13-15-1-2-15/h4,10,14-15,17H,1-3,5-9,11-13H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone?
1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone has a molecular weight of 349.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 91918011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).