[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone

C19H28N2O2S — CID 124819424

IUPAC[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC2(C[C@H](COCC3CC3)CCN2C)C1
InChIInChI=1S/C19H28N2O2S/c1-14-6-8-24-17(14)18(22)21-12-19(13-21)9-16(5-7-20(19)2)11-23-10-15-3-4-15/h6,8,15-16H,3-5,7,9-13H2,1-2H3/t16-/m1/s1
InChIKeyQMRWJAJEXUZJJK-MRXNPFEDSA-N
MW348.51 g/mol
LogP3.02
Rot. Bonds5

About [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone

[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 124819424) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID124819424
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC2(C[C@H](COCC3CC3)CCN2C)C1
InChIInChI=1S/C19H28N2O2S/c1-14-6-8-24-17(14)18(22)21-12-19(13-21)9-16(5-7-20(19)2)11-23-10-15-3-4-15/h6,8,15-16H,3-5,7,9-13H2,1-2H3/t16-/m1/s1
InChIKeyQMRWJAJEXUZJJK-MRXNPFEDSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone 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

[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
CID 124813600
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
CID 131671735
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155844574
[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 131659692
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
cyclopenten-1-yl-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131648301
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyrazin-2-ylmethanone
CID 131671724
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 131669189

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone (CID 124819424) is [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CC2(C[C@H](COCC3CC3)CCN2C)C1.
What is the InChIKey of [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is QMRWJAJEXUZJJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-6-8-24-17(14)18(22)21-12-19(13-21)9-16(5-7-20(19)2)11-23-10-15-3-4-15/h6,8,15-16H,3-5,7,9-13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone?
[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 348.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 124819424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).