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

C18H24N2O3S — CID 118738909

IUPAC4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C18H24N2O3S/c1-13-18(23-12-16(21)20(13)11-14-4-5-14)6-8-19(9-7-18)17(22)15-3-2-10-24-15/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeyIODYOJFUNDUJLT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.38
Rot. Bonds3

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

4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118738909) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118738909
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C18H24N2O3S/c1-13-18(23-12-16(21)20(13)11-14-4-5-14)6-8-19(9-7-18)17(22)15-3-2-10-24-15/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeyIODYOJFUNDUJLT-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118738909) is 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IODYOJFUNDUJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-18(23-12-16(21)20(13)11-14-4-5-14)6-8-19(9-7-18)17(22)15-3-2-10-24-15/h2-3,10,13-14H,4-9,11-12H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.47 g/mol, XLogP of 2.38, 3 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-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118738909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).