2-(butylsulfonylamino)-2-methylbutanethioamide

C9H20N2O2S2 — CID 61124679

IUPAC2-(butylsulfonylamino)-2-methylbutanethioamide
SMILESCCCCS(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C9H20N2O2S2/c1-4-6-7-15(12,13)11-9(3,5-2)8(10)14/h11H,4-7H2,1-3H3,(H2,10,14)
InChIKeyFYICOVQYZCTFOI-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.16
Rot. Bonds7

About 2-(butylsulfonylamino)-2-methylbutanethioamide

2-(butylsulfonylamino)-2-methylbutanethioamide (PubChem CID 61124679) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-2-methylbutanethioamide
PubChem CID61124679
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name2-(butylsulfonylamino)-2-methylbutanethioamide
SMILESCCCCS(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C9H20N2O2S2/c1-4-6-7-15(12,13)11-9(3,5-2)8(10)14/h11H,4-7H2,1-3H3,(H2,10,14)
InChIKeyFYICOVQYZCTFOI-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(butylsulfonylamino)-2-methylbutanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058774
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058906
N-(2-methylbutan-2-yl)propane-2-sulfonamide
CID 61362230
1-N,1-N'-ditert-butylethane-1,1-disulfonamide
CID 316142
N-(2-methylbutan-2-yl)butane-1-sulfonamide
CID 19682087
2-Ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
CID 55259382
N-(2-methylbutan-2-yl)propane-1-sulfonamide
CID 60643309
2-(Cyclohexylsulfonylamino)-2-methylpropanethioamide
CID 61119255
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
2-Methyl-2-(propan-2-ylsulfonylamino)propanethioamide
CID 61121230
2-Methyl-2-(propylsulfonylamino)propanethioamide
CID 61121430
2-(Butylsulfonylamino)-2-methylpropanethioamide
CID 61121627

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-2-methylbutanethioamide?
The IUPAC name of 2-(butylsulfonylamino)-2-methylbutanethioamide (CID 61124679) is 2-(butylsulfonylamino)-2-methylbutanethioamide.
What is the SMILES notation for 2-(butylsulfonylamino)-2-methylbutanethioamide?
The canonical SMILES for 2-(butylsulfonylamino)-2-methylbutanethioamide is CCCCS(=O)(=O)NC(C)(CC)C(N)=S.
What is the InChIKey of 2-(butylsulfonylamino)-2-methylbutanethioamide?
The InChIKey is FYICOVQYZCTFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-4-6-7-15(12,13)11-9(3,5-2)8(10)14/h11H,4-7H2,1-3H3,(H2,10,14).
What are the key properties of 2-(butylsulfonylamino)-2-methylbutanethioamide?
2-(butylsulfonylamino)-2-methylbutanethioamide has a molecular weight of 252.40 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-2-methylbutanethioamide is sourced from PubChem (CID 61124679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).