(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide

C13H20N4OS — CID 97396826

IUPAC(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
SMILESCNC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1
InChIInChI=1S/C13H20N4OS/c1-14-11(18)10-2-3-13(8-10)4-6-17(7-5-13)12-16-15-9-19-12/h9-10H,2-8H2,1H3,(H,14,18)/t10-/m1/s1
InChIKeyJTADYETVOFKCRB-SNVBAGLBSA-N
MW280.40 g/mol
LogP1.67
Rot. Bonds2

About (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide

(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 97396826) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID97396826
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
SMILESCNC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1
InChIInChI=1S/C13H20N4OS/c1-14-11(18)10-2-3-13(8-10)4-6-17(7-5-13)12-16-15-9-19-12/h9-10H,2-8H2,1H3,(H,14,18)/t10-/m1/s1
InChIKeyJTADYETVOFKCRB-SNVBAGLBSA-N
XLogP1.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97415499
N,4-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 115305535
(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493289
N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
(2R,3R)-N-cyclobutyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778397
N-methylspiro[2.5]octane-6-carboxamide
CID 59578553
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827951
pyrrolidin-1-yl-[5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptan-2-yl]methanone
CID 131654574
morpholin-4-yl-[(2S)-6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 97493487
2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 169304025
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97484299

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide (CID 97396826) is (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide is CNC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1.
What is the InChIKey of (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is JTADYETVOFKCRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-14-11(18)10-2-3-13(8-10)4-6-17(7-5-13)12-16-15-9-19-12/h9-10H,2-8H2,1H3,(H,14,18)/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide?
(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 97396826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).