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

C18H25NO3S — CID 91918022

IUPAC[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C18H25NO3S/c20-17(16-2-1-11-23-16)19-8-6-18(7-9-19)12-15(5-10-22-18)21-13-14-3-4-14/h1-2,11,14-15H,3-10,12-13H2
InChIKeyUNBNDDAGKAJNTL-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.33
Rot. Bonds4

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

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone (PubChem CID 91918022) 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-2-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
PubChem CID91918022
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C18H25NO3S/c20-17(16-2-1-11-23-16)19-8-6-18(7-9-19)12-15(5-10-22-18)21-13-14-3-4-14/h1-2,11,14-15H,3-10,12-13H2
InChIKeyUNBNDDAGKAJNTL-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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Related Compounds

N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
CID 3739463
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
CID 4012567
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908291
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919155
4-[(4-Fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053245
(3R*,4R*)-1-[(5-isopropyl-3-thienyl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72854489
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908288
N-[(4aS,8R,8aS)-6-(thiophene-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
CID 97379850
[4-[3-(Cyclopropylmethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124044948
[4-[Benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
CID 91908277
N-Benzyl-N-cyclopropyl-9-(5-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908292
N-Cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-YL]benzamide
CID 91919883

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone (CID 91918022) is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone?
The InChIKey is UNBNDDAGKAJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c20-17(16-2-1-11-23-16)19-8-6-18(7-9-19)12-15(5-10-22-18)21-13-14-3-4-14/h1-2,11,14-15H,3-10,12-13H2.
What are the key properties of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone?
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-2-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-2-ylmethanone is sourced from PubChem (CID 91918022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).