2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C14H20N6O2S — CID 135912760

IUPAC2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C14H20N6O2S/c1-7-4-2-3-5-8(7)16-9(21)6-23-14-17-10-11(19-14)18-13(15)20-12(10)22/h7-8H,2-6H2,1H3,(H,16,21)(H4,15,17,18,19,20,22)/t7-,8-/m0/s1
InChIKeyMJPORAGRHDSKLC-YUMQZZPRSA-N
MW336.42 g/mol
LogP1.02
Rot. Bonds4

About 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 135912760) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID135912760
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1
InChIInChI=1S/C14H20N6O2S/c1-7-4-2-3-5-8(7)16-9(21)6-23-14-17-10-11(19-14)18-13(15)20-12(10)22/h7-8H,2-6H2,1H3,(H,16,21)(H4,15,17,18,19,20,22)/t7-,8-/m0/s1
InChIKeyMJPORAGRHDSKLC-YUMQZZPRSA-N
XLogP1.02
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 135910101
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2693147
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 137097505
N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135481691
N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
N-[(1R,2S)-2-methylcyclohexyl]-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 136906034
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43250724
N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7246640
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135461607
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 978287

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 135912760) is 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1.
What is the InChIKey of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is MJPORAGRHDSKLC-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-7-4-2-3-5-8(7)16-9(21)6-23-14-17-10-11(19-14)18-13(15)20-12(10)22/h7-8H,2-6H2,1H3,(H,16,21)(H4,15,17,18,19,20,22)/t7-,8-/m0/s1.
What are the key properties of 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 135912760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).