4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H26N2O2S — CID 131640449

IUPAC4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(Cc1cccs1)CC2
InChIInChI=1S/C18H26N2O2S/c1-14-18(22-13-17(21)20(14)11-15-4-5-15)6-8-19(9-7-18)12-16-3-2-10-23-16/h2-3,10,14-15H,4-9,11-13H2,1H3
InChIKeyURGHEUUDQCTFMI-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.74
Rot. Bonds4

About 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131640449) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131640449
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(Cc1cccs1)CC2
InChIInChI=1S/C18H26N2O2S/c1-14-18(22-13-17(21)20(14)11-15-4-5-15)6-8-19(9-7-18)12-16-3-2-10-23-16/h2-3,10,14-15H,4-9,11-13H2,1H3
InChIKeyURGHEUUDQCTFMI-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-5-methyl-9-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131653812
(5R)-4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471586
(5S)-5-methyl-4-(pyridin-3-ylmethyl)-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384793
(5R)-5-methyl-4-pyridin-3-yl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384820
4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 131658398
4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131679899
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
4-phenyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372508
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
(5S)-9-(furan-3-ylmethyl)-5-methyl-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384765
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131640449) is 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(CC2CC2)C(=O)COC12CCN(Cc1cccs1)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is URGHEUUDQCTFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-18(22-13-17(21)20(14)11-15-4-5-15)6-8-19(9-7-18)12-16-3-2-10-23-16/h2-3,10,14-15H,4-9,11-13H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131640449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).