2-methyl-2-(propylsulfonylamino)butanethioamide

C8H18N2O2S2 — CID 61124482

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

About 2-methyl-2-(propylsulfonylamino)butanethioamide

2-methyl-2-(propylsulfonylamino)butanethioamide (PubChem CID 61124482) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(propylsulfonylamino)butanethioamide
PubChem CID61124482
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC Name2-methyl-2-(propylsulfonylamino)butanethioamide
SMILESCCCS(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-4-6-14(11,12)10-8(3,5-2)7(9)13/h10H,4-6H2,1-3H3,(H2,9,13)
InChIKeyBQCOBKHVJSZQIK-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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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-methyl-2-(propylsulfonylamino)butanethioamide?
The IUPAC name of 2-methyl-2-(propylsulfonylamino)butanethioamide (CID 61124482) is 2-methyl-2-(propylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-methyl-2-(propylsulfonylamino)butanethioamide?
The canonical SMILES for 2-methyl-2-(propylsulfonylamino)butanethioamide is CCCS(=O)(=O)NC(C)(CC)C(N)=S.
What is the InChIKey of 2-methyl-2-(propylsulfonylamino)butanethioamide?
The InChIKey is BQCOBKHVJSZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-4-6-14(11,12)10-8(3,5-2)7(9)13/h10H,4-6H2,1-3H3,(H2,9,13).
What are the key properties of 2-methyl-2-(propylsulfonylamino)butanethioamide?
2-methyl-2-(propylsulfonylamino)butanethioamide 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-methyl-2-(propylsulfonylamino)butanethioamide is sourced from PubChem (CID 61124482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).