N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide

C17H25N3O2S — CID 118745033

IUPACN,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C(=O)CN1CCC2(CCCN(Cc3cccs3)C2)C1=O
InChIInChI=1S/C17H25N3O2S/c1-18(2)15(21)12-20-9-7-17(16(20)22)6-4-8-19(13-17)11-14-5-3-10-23-14/h3,5,10H,4,6-9,11-13H2,1-2H3
InChIKeyBKCHZKXWSLVVOF-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.65
Rot. Bonds4

About N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide

N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 118745033) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID118745033
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C(=O)CN1CCC2(CCCN(Cc3cccs3)C2)C1=O
InChIInChI=1S/C17H25N3O2S/c1-18(2)15(21)12-20-9-7-17(16(20)22)6-4-8-19(13-17)11-14-5-3-10-23-14/h3,5,10H,4,6-9,11-13H2,1-2H3
InChIKeyBKCHZKXWSLVVOF-UHFFFAOYSA-N
XLogP1.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide (CID 118745033) is N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide is CN(C)C(=O)CN1CCC2(CCCN(Cc3cccs3)C2)C1=O.
What is the InChIKey of N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is BKCHZKXWSLVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-18(2)15(21)12-20-9-7-17(16(20)22)6-4-8-19(13-17)11-14-5-3-10-23-14/h3,5,10H,4,6-9,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-oxo-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 118745033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).