2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H28N2O2S — CID 118743581

IUPAC2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NC(C)C)C3(CCOCC3)C2)s1
InChIInChI=1S/C18H28N2O2S/c1-13(2)19-17(21)16-11-20(10-15-5-4-14(3)23-15)12-18(16)6-8-22-9-7-18/h4-5,13,16H,6-12H2,1-3H3,(H,19,21)
InChIKeyLIRDJNRXNAWALF-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.81
Rot. Bonds4

About 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118743581) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118743581
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NC(C)C)C3(CCOCC3)C2)s1
InChIInChI=1S/C18H28N2O2S/c1-13(2)19-17(21)16-11-20(10-15-5-4-14(3)23-15)12-18(16)6-8-22-9-7-18/h4-5,13,16H,6-12H2,1-3H3,(H,19,21)
InChIKeyLIRDJNRXNAWALF-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118743581) is 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(CN2CC(C(=O)NC(C)C)C3(CCOCC3)C2)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LIRDJNRXNAWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13(2)19-17(21)16-11-20(10-15-5-4-14(3)23-15)12-18(16)6-8-22-9-7-18/h4-5,13,16H,6-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).