methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide

C8H16N2O2S — CID 143300675

IUPACmethanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCS.C[C@@H](C(N)=O)N1CCCC1=O
InChIInChI=1S/C7H12N2O2.CH4S/c1-5(7(8)11)9-4-2-3-6(9)10;1-2/h5H,2-4H2,1H3,(H2,8,11);2H,1H3/t5-;/m0./s1
InChIKeyUTUQRWIHKAWIBN-JEDNCBNOSA-N
MW204.30 g/mol
LogP0.03
Rot. Bonds2

About methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide

methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 143300675) has the molecular formula C8H16N2O2S and a molecular weight of 204.30 g/mol. Its IUPAC name is methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Namemethanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID143300675
Molecular FormulaC8H16N2O2S
Molecular Weight204.30 g/mol
Exact Mass204.09
IUPAC Namemethanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCS.C[C@@H](C(N)=O)N1CCCC1=O
InChIInChI=1S/C7H12N2O2.CH4S/c1-5(7(8)11)9-4-2-3-6(9)10;1-2/h5H,2-4H2,1H3,(H2,8,11);2H,1H3/t5-;/m0./s1
InChIKeyUTUQRWIHKAWIBN-JEDNCBNOSA-N
XLogP0.03
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
2-(2-methylidenepyrrolidin-1-yl)propanamide
CID 67475144
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide
CID 70622201
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
2-(2-oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158

Frequently Asked Questions

What is the IUPAC name of methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide (CID 143300675) is methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide is CS.C[C@@H](C(N)=O)N1CCCC1=O.
What is the InChIKey of methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is UTUQRWIHKAWIBN-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12N2O2.CH4S/c1-5(7(8)11)9-4-2-3-6(9)10;1-2/h5H,2-4H2,1H3,(H2,8,11);2H,1H3/t5-;/m0./s1.
What are the key properties of methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide?
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 204.30 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 143300675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).