N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C13H21N3O2S2 — CID 24578494

IUPACN-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCSCc1nnc(SCC(=O)NCC2CCCCC2)o1
InChIInChI=1S/C13H21N3O2S2/c1-19-9-12-15-16-13(18-12)20-8-11(17)14-7-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyVLGPXGULUDPOSB-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.72
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24578494) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID24578494
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC NameN-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCSCc1nnc(SCC(=O)NCC2CCCCC2)o1
InChIInChI=1S/C13H21N3O2S2/c1-19-9-12-15-16-13(18-12)20-8-11(17)14-7-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyVLGPXGULUDPOSB-UHFFFAOYSA-N
XLogP2.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 24578494) is N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CSCc1nnc(SCC(=O)NCC2CCCCC2)o1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VLGPXGULUDPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-19-9-12-15-16-13(18-12)20-8-11(17)14-7-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24578494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).