N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide

C17H24N4O2S — CID 26391777

IUPACN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)N[C@H]1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H24N4O2S/c22-15(12-24-17-18-7-4-8-19-17)20-14-9-16(23)21(11-14)10-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22)/t14-/m0/s1
InChIKeyPJNVKEWZDNDDIO-AWEZNQCLSA-N
MW348.47 g/mol
LogP1.87
Rot. Bonds6

About N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 26391777) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID26391777
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)N[C@H]1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H24N4O2S/c22-15(12-24-17-18-7-4-8-19-17)20-14-9-16(23)21(11-14)10-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22)/t14-/m0/s1
InChIKeyPJNVKEWZDNDDIO-AWEZNQCLSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45245521
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 45236575
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide
CID 45195973
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 56885981
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 45251623
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45215715
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734
N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
CID 23605473

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide (CID 26391777) is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)N[C@H]1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is PJNVKEWZDNDDIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-15(12-24-17-18-7-4-8-19-17)20-14-9-16(23)21(11-14)10-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 348.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 26391777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).