3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

C18H24N2O2S — CID 725510

IUPAC3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)CCCC3
InChIInChI=1S/C18H24N2O2S/c1-2-19-17-15(13-10-6-7-11-14(13)23-17)16(21)20(18(19)22)12-8-4-3-5-9-12/h12H,2-11H2,1H3
InChIKeyZCLWLFCMALQGPZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.63
Rot. Bonds2

About 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 725510) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
PubChem CID725510
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)CCCC3
InChIInChI=1S/C18H24N2O2S/c1-2-19-17-15(13-10-6-7-11-14(13)23-17)16(21)20(18(19)22)12-8-4-3-5-9-12/h12H,2-11H2,1H3
InChIKeyZCLWLFCMALQGPZ-UHFFFAOYSA-N
XLogP3.63
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

ethyl 2-[3-[(4S)-2,2-dimethyloxan-4-yl]-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetate
CID 42582229
2-[11-[(4R)-2,2-dimethyloxan-4-yl]-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl]acetamide
CID 42582752
9-benzyl-11-[(4S)-2,2-dimethyloxan-4-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
CID 42569328
N-cyclohexyl-2-[11-(4-ethylphenyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl]-N-methylacetamide
CID 6621531
3-cyclopropyl-2-(propylaminomethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39148539
ethyl (11-cyclohexyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanylformate
CID 23790231
2-[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]-N,N-diethylacetamide
CID 15989231
1,3-bis(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 18829368
N-cyclohexyl-2-[(3-cyclopentyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
CID 2417561
4-(4-chlorophenyl)-6-[(4-methylphenyl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
CID 2134252
4-(3,4-dimethylphenyl)-6-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
CID 41493056
4-(3,4-dimethylphenyl)-6-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
CID 18592540

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione (CID 725510) is 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)n(C2CCCCC2)c(=O)c2c3c(sc21)CCCC3.
What is the InChIKey of 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZCLWLFCMALQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-19-17-15(13-10-6-7-11-14(13)23-17)16(21)20(18(19)22)12-8-4-3-5-9-12/h12H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 332.47 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 725510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).