[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone

C18H22N4OS — CID 97450106

IUPAC[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
SMILESCc1cnc(N2CC[C@@]3(CCCN(C(=O)c4cccs4)C3)C2)nc1
InChIInChI=1S/C18H22N4OS/c1-14-10-19-17(20-11-14)22-8-6-18(13-22)5-3-7-21(12-18)16(23)15-4-2-9-24-15/h2,4,9-11H,3,5-8,12-13H2,1H3/t18-/m1/s1
InChIKeyMDZVPSVLHTXFCL-GOSISDBHSA-N
MW342.47 g/mol
LogP2.98
Rot. Bonds2

About [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone

[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone (PubChem CID 97450106) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
PubChem CID97450106
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
SMILESCc1cnc(N2CC[C@@]3(CCCN(C(=O)c4cccs4)C3)C2)nc1
InChIInChI=1S/C18H22N4OS/c1-14-10-19-17(20-11-14)22-8-6-18(13-22)5-3-7-21(12-18)16(23)15-4-2-9-24-15/h2,4,9-11H,3,5-8,12-13H2,1H3/t18-/m1/s1
InChIKeyMDZVPSVLHTXFCL-GOSISDBHSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone 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

[7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 97472794
[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97370418
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-2-ylmethanone
CID 97372929
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
CID 110139235
[2-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839257
(7-propan-2-ylspiro[6,8-dihydroimidazo[1,5-a]pyrazine-5,3'-piperidine]-1'-yl)-thiophen-2-ylmethanone
CID 131680780
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone (CID 97450106) is [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone is Cc1cnc(N2CC[C@@]3(CCCN(C(=O)c4cccs4)C3)C2)nc1.
What is the InChIKey of [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The InChIKey is MDZVPSVLHTXFCL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-14-10-19-17(20-11-14)22-8-6-18(13-22)5-3-7-21(12-18)16(23)15-4-2-9-24-15/h2,4,9-11H,3,5-8,12-13H2,1H3/t18-/m1/s1.
What are the key properties of [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone has a molecular weight of 342.47 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97450106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).