N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C10H15N3O4S2 — CID 9373882

IUPACN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)o1
InChIInChI=1S/C10H15N3O4S2/c1-7-12-13-9(17-7)18-5-8(14)11-10(2)3-4-19(15,16)6-10/h3-6H2,1-2H3,(H,11,14)/t10-/m0/s1
InChIKeyYFIPXJXGNHCWGR-JTQLQIEISA-N
MW305.38 g/mol
LogP0.16
Rot. Bonds4

About N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 9373882) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID9373882
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)o1
InChIInChI=1S/C10H15N3O4S2/c1-7-12-13-9(17-7)18-5-8(14)11-10(2)3-4-19(15,16)6-10/h3-6H2,1-2H3,(H,11,14)/t10-/m0/s1
InChIKeyYFIPXJXGNHCWGR-JTQLQIEISA-N
XLogP0.16
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43237327
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 9373371
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 43301946
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 40776538
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41272854
2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 8926497
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7870003
2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42936005
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7878273
2-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34274909

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 9373882) is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)o1.
What is the InChIKey of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is YFIPXJXGNHCWGR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-7-12-13-9(17-7)18-5-8(14)11-10(2)3-4-19(15,16)6-10/h3-6H2,1-2H3,(H,11,14)/t10-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9373882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).