N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide

C16H23N3O2S — CID 135680936

IUPACN-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nc2c(c(=O)[nH]1)CCC2)C1CCCCC1
InChIInChI=1S/C16H23N3O2S/c1-19(11-6-3-2-4-7-11)14(20)10-22-16-17-13-9-5-8-12(13)15(21)18-16/h11H,2-10H2,1H3,(H,17,18,21)
InChIKeyMYOOGLJLRVZFPV-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.14
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135680936) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135680936
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nc2c(c(=O)[nH]1)CCC2)C1CCCCC1
InChIInChI=1S/C16H23N3O2S/c1-19(11-6-3-2-4-7-11)14(20)10-22-16-17-13-9-5-8-12(13)15(21)18-16/h11H,2-10H2,1H3,(H,17,18,21)
InChIKeyMYOOGLJLRVZFPV-UHFFFAOYSA-N
XLogP2.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide (CID 135680936) is N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide is CN(C(=O)CSc1nc2c(c(=O)[nH]1)CCC2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is MYOOGLJLRVZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-19(11-6-3-2-4-7-11)14(20)10-22-16-17-13-9-5-8-12(13)15(21)18-16/h11H,2-10H2,1H3,(H,17,18,21).
What are the key properties of N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135680936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).