2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide

C10H20N2O3S2 — CID 62047534

IUPAC2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide
SMILESCCC(C)(NS(=O)(=O)C1CCOCC1)C(N)=S
InChIInChI=1S/C10H20N2O3S2/c1-3-10(2,9(11)16)12-17(13,14)8-4-6-15-7-5-8/h8,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyRPITVEXAWQDEIA-UHFFFAOYSA-N
MW280.41 g/mol
LogP0.54
Rot. Bonds5

About 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide

2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide (PubChem CID 62047534) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide
PubChem CID62047534
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide
SMILESCCC(C)(NS(=O)(=O)C1CCOCC1)C(N)=S
InChIInChI=1S/C10H20N2O3S2/c1-3-10(2,9(11)16)12-17(13,14)8-4-6-15-7-5-8/h8,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyRPITVEXAWQDEIA-UHFFFAOYSA-N
XLogP0.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide?
The IUPAC name of 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide (CID 62047534) is 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide?
The canonical SMILES for 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide is CCC(C)(NS(=O)(=O)C1CCOCC1)C(N)=S.
What is the InChIKey of 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide?
The InChIKey is RPITVEXAWQDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-3-10(2,9(11)16)12-17(13,14)8-4-6-15-7-5-8/h8,12H,3-7H2,1-2H3,(H2,11,16).
What are the key properties of 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide?
2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide has a molecular weight of 280.41 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylsulfonylamino)butanethioamide is sourced from PubChem (CID 62047534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).