(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide

C17H28N4OS — CID 129466658

IUPAC(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H28N4OS/c1-13(12-23-3)16(22)21(11-15-19-8-9-20(15)2)14-10-17(14)4-6-18-7-5-17/h8-9,13-14,18H,4-7,10-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyZPMSXSQKMJJKIA-KBPBESRZSA-N
MW336.51 g/mol
LogP1.89
Rot. Bonds6

About (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide

(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide (PubChem CID 129466658) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide
PubChem CID129466658
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2
InChIInChI=1S/C17H28N4OS/c1-13(12-23-3)16(22)21(11-15-19-8-9-20(15)2)14-10-17(14)4-6-18-7-5-17/h8-9,13-14,18H,4-7,10-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyZPMSXSQKMJJKIA-KBPBESRZSA-N
XLogP1.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide 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

(2R)-2-amino-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 129350140
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-cyclobutyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 129466296
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 167951472
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-chloro-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 129475917
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129466442
N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 154814695
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
(2R)-N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476402
(2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-amine
CID 129476793
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845181
N-[(2,3-dimethylphenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 128991950
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 128992326

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide (CID 129466658) is (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide is CSC[C@H](C)C(=O)N(Cc1nccn1C)[C@H]1CC12CCNCC2.
What is the InChIKey of (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is ZPMSXSQKMJJKIA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13(12-23-3)16(22)21(11-15-19-8-9-20(15)2)14-10-17(14)4-6-18-7-5-17/h8-9,13-14,18H,4-7,10-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide?
(2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 336.51 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 129466658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).