2-(benzenesulfonamido)-2-methylbutanethioamide

C11H16N2O2S2 — CID 61124279

IUPAC2-(benzenesulfonamido)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)c1ccccc1)C(N)=S
InChIInChI=1S/C11H16N2O2S2/c1-3-11(2,10(12)16)13-17(14,15)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3,(H2,12,16)
InChIKeyXSJVYAGUCSIQDT-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.42
Rot. Bonds5

About 2-(benzenesulfonamido)-2-methylbutanethioamide

2-(benzenesulfonamido)-2-methylbutanethioamide (PubChem CID 61124279) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-2-methylbutanethioamide
PubChem CID61124279
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-(benzenesulfonamido)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)c1ccccc1)C(N)=S
InChIInChI=1S/C11H16N2O2S2/c1-3-11(2,10(12)16)13-17(14,15)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3,(H2,12,16)
InChIKeyXSJVYAGUCSIQDT-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.42
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-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
CID 61123488
2-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbutanethioamide
CID 61124872
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
2-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanethioamide
CID 61124089
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
CID 103414629
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
CID 79989092
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-2-methylbutanethioamide?
The IUPAC name of 2-(benzenesulfonamido)-2-methylbutanethioamide (CID 61124279) is 2-(benzenesulfonamido)-2-methylbutanethioamide.
What is the SMILES notation for 2-(benzenesulfonamido)-2-methylbutanethioamide?
The canonical SMILES for 2-(benzenesulfonamido)-2-methylbutanethioamide is CCC(C)(NS(=O)(=O)c1ccccc1)C(N)=S.
What is the InChIKey of 2-(benzenesulfonamido)-2-methylbutanethioamide?
The InChIKey is XSJVYAGUCSIQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-3-11(2,10(12)16)13-17(14,15)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3,(H2,12,16).
What are the key properties of 2-(benzenesulfonamido)-2-methylbutanethioamide?
2-(benzenesulfonamido)-2-methylbutanethioamide has a molecular weight of 272.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-2-methylbutanethioamide is sourced from PubChem (CID 61124279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).