N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

C17H27N3O2S — CID 131656424

IUPACN-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3cccs3)C2)C1
InChIInChI=1S/C17H27N3O2S/c1-18-16(21)11-20-7-8-22-14-17(13-20)5-3-6-19(12-17)10-15-4-2-9-23-15/h2,4,9H,3,5-8,10-14H2,1H3,(H,18,21)
InChIKeyJCVPFMXOUAFIIZ-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (PubChem CID 131656424) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
PubChem CID131656424
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3cccs3)C2)C1
InChIInChI=1S/C17H27N3O2S/c1-18-16(21)11-20-7-8-22-14-17(13-20)5-3-6-19(12-17)10-15-4-2-9-23-15/h2,4,9H,3,5-8,10-14H2,1H3,(H,18,21)
InChIKeyJCVPFMXOUAFIIZ-UHFFFAOYSA-N
XLogP1.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (CID 131656424) is N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is CNC(=O)CN1CCOCC2(CCCN(Cc3cccs3)C2)C1.
What is the InChIKey of N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The InChIKey is JCVPFMXOUAFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-18-16(21)11-20-7-8-22-14-17(13-20)5-3-6-19(12-17)10-15-4-2-9-23-15/h2,4,9H,3,5-8,10-14H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is sourced from PubChem (CID 131656424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).