2-imino-3-methylsulfonylthiolane-3-carboxamide

C6H10N2O3S2 — CID 11253041

IUPAC2-imino-3-methylsulfonylthiolane-3-carboxamide
SMILES[H]/N=C1\SCCC1(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C6H10N2O3S2/c1-13(10,11)6(4(7)9)2-3-12-5(6)8/h8H,2-3H2,1H3,(H2,7,9)/b8-5-
InChIKeyCLCCZOMGRYHQOK-YVMONPNESA-N
MW222.29 g/mol
LogP-0.63
Rot. Bonds2

About 2-imino-3-methylsulfonylthiolane-3-carboxamide

2-imino-3-methylsulfonylthiolane-3-carboxamide (PubChem CID 11253041) has the molecular formula C6H10N2O3S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-imino-3-methylsulfonylthiolane-3-carboxamide.

Molecular Properties

Compound Name2-imino-3-methylsulfonylthiolane-3-carboxamide
PubChem CID11253041
Molecular FormulaC6H10N2O3S2
Molecular Weight222.29 g/mol
Exact Mass222.01
IUPAC Name2-imino-3-methylsulfonylthiolane-3-carboxamide
SMILES[H]/N=C1\SCCC1(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C6H10N2O3S2/c1-13(10,11)6(4(7)9)2-3-12-5(6)8/h8H,2-3H2,1H3,(H2,7,9)/b8-5-
InChIKeyCLCCZOMGRYHQOK-YVMONPNESA-N
XLogP-0.63
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methylsulfonylthiolane-3-carboxamide?
The IUPAC name of 2-imino-3-methylsulfonylthiolane-3-carboxamide (CID 11253041) is 2-imino-3-methylsulfonylthiolane-3-carboxamide.
What is the SMILES notation for 2-imino-3-methylsulfonylthiolane-3-carboxamide?
The canonical SMILES for 2-imino-3-methylsulfonylthiolane-3-carboxamide is [H]/N=C1\SCCC1(C(N)=O)S(C)(=O)=O.
What is the InChIKey of 2-imino-3-methylsulfonylthiolane-3-carboxamide?
The InChIKey is CLCCZOMGRYHQOK-YVMONPNESA-N. The full InChI is InChI=1S/C6H10N2O3S2/c1-13(10,11)6(4(7)9)2-3-12-5(6)8/h8H,2-3H2,1H3,(H2,7,9)/b8-5-.
What are the key properties of 2-imino-3-methylsulfonylthiolane-3-carboxamide?
2-imino-3-methylsulfonylthiolane-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methylsulfonylthiolane-3-carboxamide is sourced from PubChem (CID 11253041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).