2-(butylsulfonylamino)ethanethioamide

C6H14N2O2S2 — CID 61127873

IUPAC2-(butylsulfonylamino)ethanethioamide
SMILESCCCCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-2-3-4-12(9,10)8-5-6(7)11/h8H,2-5H2,1H3,(H2,7,11)
InChIKeyCPBZADRUQQSHAH-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.01
Rot. Bonds6

About 2-(butylsulfonylamino)ethanethioamide

2-(butylsulfonylamino)ethanethioamide (PubChem CID 61127873) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(butylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)ethanethioamide
PubChem CID61127873
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(butylsulfonylamino)ethanethioamide
SMILESCCCCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-2-3-4-12(9,10)8-5-6(7)11/h8H,2-5H2,1H3,(H2,7,11)
InChIKeyCPBZADRUQQSHAH-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(butylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(butylsulfonylamino)ethanethioamide (CID 61127873) is 2-(butylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(butylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(butylsulfonylamino)ethanethioamide is CCCCS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(butylsulfonylamino)ethanethioamide?
The InChIKey is CPBZADRUQQSHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-2-3-4-12(9,10)8-5-6(7)11/h8H,2-5H2,1H3,(H2,7,11).
What are the key properties of 2-(butylsulfonylamino)ethanethioamide?
2-(butylsulfonylamino)ethanethioamide has a molecular weight of 210.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61127873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).