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

C17H24N4O3S — CID 131679899

IUPAC4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1snnc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)C2C
InChIInChI=1S/C17H24N4O3S/c1-11-15(18-19-25-11)16(23)20-7-5-17(6-8-20)12(2)21(9-13-3-4-13)14(22)10-24-17/h12-13H,3-10H2,1-2H3
InChIKeyIMZFVDVBZQVDLY-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.48
Rot. Bonds3

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

4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131679899) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131679899
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1snnc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)C2C
InChIInChI=1S/C17H24N4O3S/c1-11-15(18-19-25-11)16(23)20-7-5-17(6-8-20)12(2)21(9-13-3-4-13)14(22)10-24-17/h12-13H,3-10H2,1-2H3
InChIKeyIMZFVDVBZQVDLY-UHFFFAOYSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131679899) is 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1snnc1C(=O)N1CCC2(CC1)OCC(=O)N(CC1CC1)C2C.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IMZFVDVBZQVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11-15(18-19-25-11)16(23)20-7-5-17(6-8-20)12(2)21(9-13-3-4-13)14(22)10-24-17/h12-13H,3-10H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.47 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-9-(5-methylthiadiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131679899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).