N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide

C16H23N3O2S — CID 97493601

IUPACN-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C16H23N3O2S/c1-17-14(20)11-19-7-2-4-16(19)5-8-18(9-6-16)15(21)13-3-10-22-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,17,20)
InChIKeyHUNDOIRQCCWKFM-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.56
Rot. Bonds3

About N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide

N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide (PubChem CID 97493601) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
PubChem CID97493601
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C16H23N3O2S/c1-17-14(20)11-19-7-2-4-16(19)5-8-18(9-6-16)15(21)13-3-10-22-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,17,20)
InChIKeyHUNDOIRQCCWKFM-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide (CID 97493601) is N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide is CNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2.
What is the InChIKey of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is HUNDOIRQCCWKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-17-14(20)11-19-7-2-4-16(19)5-8-18(9-6-16)15(21)13-3-10-22-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,17,20).
What are the key properties of N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 97493601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).