1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H21N3O2S — CID 72843264

IUPAC1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2cccs2)CC12CCNC(=O)CC2
InChIInChI=1S/C15H21N3O2S/c1-17-8-9-18(14(20)12-3-2-10-21-12)11-15(17)5-4-13(19)16-7-6-15/h2-3,10H,4-9,11H2,1H3,(H,16,19)
InChIKeyROJKIAGHHLUWAI-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.17
Rot. Bonds1

About 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72843264) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72843264
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2cccs2)CC12CCNC(=O)CC2
InChIInChI=1S/C15H21N3O2S/c1-17-8-9-18(14(20)12-3-2-10-21-12)11-15(17)5-4-13(19)16-7-6-15/h2-3,10H,4-9,11H2,1H3,(H,16,19)
InChIKeyROJKIAGHHLUWAI-UHFFFAOYSA-N
XLogP1.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one 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 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72843264) is 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2cccs2)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ROJKIAGHHLUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-8-9-18(14(20)12-3-2-10-21-12)11-15(17)5-4-13(19)16-7-6-15/h2-3,10H,4-9,11H2,1H3,(H,16,19).
What are the key properties of 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 307.42 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(thiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72843264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).