N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C18H28N4O4S — CID 91919363

IUPACN-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)CC(CC(=O)NC2CC2)CCO3)c1
InChIInChI=1S/C18H28N4O4S/c1-21-12-17(19-13-21)27(24,25)22-7-5-18(6-8-22)11-14(4-9-26-18)10-16(23)20-15-2-3-15/h12-15H,2-11H2,1H3,(H,20,23)
InChIKeyAQXVUJTVGCYCOM-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.04
Rot. Bonds5

About N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91919363) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91919363
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)CC(CC(=O)NC2CC2)CCO3)c1
InChIInChI=1S/C18H28N4O4S/c1-21-12-17(19-13-21)27(24,25)22-7-5-18(6-8-22)11-14(4-9-26-18)10-16(23)20-15-2-3-15/h12-15H,2-11H2,1H3,(H,20,23)
InChIKeyAQXVUJTVGCYCOM-UHFFFAOYSA-N
XLogP1.04
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91919363) is N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is Cn1cnc(S(=O)(=O)N2CCC3(CC2)CC(CC(=O)NC2CC2)CCO3)c1.
What is the InChIKey of N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is AQXVUJTVGCYCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-21-12-17(19-13-21)27(24,25)22-7-5-18(6-8-22)11-14(4-9-26-18)10-16(23)20-15-2-3-15/h12-15H,2-11H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91919363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).