2-(butylsulfonylamino)-2-methylpropanethioamide

C8H18N2O2S2 — CID 61121627

IUPAC2-(butylsulfonylamino)-2-methylpropanethioamide
SMILESCCCCS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-4-5-6-14(11,12)10-8(2,3)7(9)13/h10H,4-6H2,1-3H3,(H2,9,13)
InChIKeyHLDUEXQPTGPVAD-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.77
Rot. Bonds6

About 2-(butylsulfonylamino)-2-methylpropanethioamide

2-(butylsulfonylamino)-2-methylpropanethioamide (PubChem CID 61121627) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-2-methylpropanethioamide
PubChem CID61121627
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC Name2-(butylsulfonylamino)-2-methylpropanethioamide
SMILESCCCCS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-4-5-6-14(11,12)10-8(2,3)7(9)13/h10H,4-6H2,1-3H3,(H2,9,13)
InChIKeyHLDUEXQPTGPVAD-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.77
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)-2-methylpropanethioamide?
The IUPAC name of 2-(butylsulfonylamino)-2-methylpropanethioamide (CID 61121627) is 2-(butylsulfonylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(butylsulfonylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(butylsulfonylamino)-2-methylpropanethioamide is CCCCS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-(butylsulfonylamino)-2-methylpropanethioamide?
The InChIKey is HLDUEXQPTGPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-4-5-6-14(11,12)10-8(2,3)7(9)13/h10H,4-6H2,1-3H3,(H2,9,13).
What are the key properties of 2-(butylsulfonylamino)-2-methylpropanethioamide?
2-(butylsulfonylamino)-2-methylpropanethioamide has a molecular weight of 238.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-2-methylpropanethioamide is sourced from PubChem (CID 61121627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).