N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide

C17H25N3O2S — CID 97493770

IUPACN,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C17H25N3O2S/c1-18(2)16(22)12-20-15(21)3-5-17(20)6-8-19(9-7-17)11-14-4-10-23-13-14/h4,10,13H,3,5-9,11-12H2,1-2H3
InChIKeyXAUDEEVJUDGOLE-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.79
Rot. Bonds4

About N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide

N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide (PubChem CID 97493770) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
PubChem CID97493770
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C17H25N3O2S/c1-18(2)16(22)12-20-15(21)3-5-17(20)6-8-19(9-7-17)11-14-4-10-23-13-14/h4,10,13H,3,5-9,11-12H2,1-2H3
InChIKeyXAUDEEVJUDGOLE-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide (CID 97493770) is N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide is CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccsc1)CC2.
What is the InChIKey of N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is XAUDEEVJUDGOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-18(2)16(22)12-20-15(21)3-5-17(20)6-8-19(9-7-17)11-14-4-10-23-13-14/h4,10,13H,3,5-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.79, 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-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 97493770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).