N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C17H24N2O3S — CID 118739451

IUPACN-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2cccs2)CC12CCOCC2
InChIInChI=1S/C17H24N2O3S/c1-12(2)18-15(20)13-10-19(16(21)14-4-3-9-23-14)11-17(13)5-7-22-8-6-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyYKRGQPNGMQPBHG-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.14
Rot. Bonds3

About N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739451) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739451
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2cccs2)CC12CCOCC2
InChIInChI=1S/C17H24N2O3S/c1-12(2)18-15(20)13-10-19(16(21)14-4-3-9-23-14)11-17(13)5-7-22-8-6-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyYKRGQPNGMQPBHG-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739451) is N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2cccs2)CC12CCOCC2.
What is the InChIKey of N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is YKRGQPNGMQPBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(2)18-15(20)13-10-19(16(21)14-4-3-9-23-14)11-17(13)5-7-22-8-6-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).