N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide

C14H23N3O2S — CID 95344777

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
SMILESCc1noc([C@H](C)SCC(=O)N[C@H]2CCCC[C@@H]2C)n1
InChIInChI=1S/C14H23N3O2S/c1-9-6-4-5-7-12(9)16-13(18)8-20-10(2)14-15-11(3)17-19-14/h9-10,12H,4-8H2,1-3H3,(H,16,18)/t9-,10-,12-/m0/s1
InChIKeyDLQQSBKGRBGGTE-NHCYSSNCSA-N
MW297.42 g/mol
LogP2.87
Rot. Bonds5

About N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide (PubChem CID 95344777) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
PubChem CID95344777
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
SMILESCc1noc([C@H](C)SCC(=O)N[C@H]2CCCC[C@@H]2C)n1
InChIInChI=1S/C14H23N3O2S/c1-9-6-4-5-7-12(9)16-13(18)8-20-10(2)14-15-11(3)17-19-14/h9-10,12H,4-8H2,1-3H3,(H,16,18)/t9-,10-,12-/m0/s1
InChIKeyDLQQSBKGRBGGTE-NHCYSSNCSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
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2-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
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CID 40529252
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CID 94811051
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2693147
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43250724
N-(2-methylcyclohexyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide (CID 95344777) is N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide is Cc1noc([C@H](C)SCC(=O)N[C@H]2CCCC[C@@H]2C)n1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
The InChIKey is DLQQSBKGRBGGTE-NHCYSSNCSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-6-4-5-7-12(9)16-13(18)8-20-10(2)14-15-11(3)17-19-14/h9-10,12H,4-8H2,1-3H3,(H,16,18)/t9-,10-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide has a molecular weight of 297.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 95344777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).