N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C15H26N2O2S — CID 100851674

IUPACN-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN1CSCC1=O
InChIInChI=1S/C15H26N2O2S/c1-10(2)12-5-4-11(3)6-13(12)16-14(18)7-17-9-20-8-15(17)19/h10-13H,4-9H2,1-3H3,(H,16,18)/t11-,12-,13+/m1/s1
InChIKeyLSAAMSFRRGSTCO-UPJWGTAASA-N
MW298.45 g/mol
LogP2.10
Rot. Bonds4

About N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 100851674) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID100851674
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN1CSCC1=O
InChIInChI=1S/C15H26N2O2S/c1-10(2)12-5-4-11(3)6-13(12)16-14(18)7-17-9-20-8-15(17)19/h10-13H,4-9H2,1-3H3,(H,16,18)/t11-,12-,13+/m1/s1
InChIKeyLSAAMSFRRGSTCO-UPJWGTAASA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 100851674) is N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN1CSCC1=O.
What is the InChIKey of N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is LSAAMSFRRGSTCO-UPJWGTAASA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-10(2)12-5-4-11(3)6-13(12)16-14(18)7-17-9-20-8-15(17)19/h10-13H,4-9H2,1-3H3,(H,16,18)/t11-,12-,13+/m1/s1.
What are the key properties of N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 298.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 100851674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).