2-ethyl-2-(methanesulfonamido)butanethioamide

C7H16N2O2S2 — CID 61124286

IUPAC2-ethyl-2-(methanesulfonamido)butanethioamide
SMILESCCC(CC)(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C7H16N2O2S2/c1-4-7(5-2,6(8)12)9-13(3,10)11/h9H,4-5H2,1-3H3,(H2,8,12)
InChIKeyUVKGBIIEUZYQKN-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.38
Rot. Bonds5

About 2-ethyl-2-(methanesulfonamido)butanethioamide

2-ethyl-2-(methanesulfonamido)butanethioamide (PubChem CID 61124286) has the molecular formula C7H16N2O2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-ethyl-2-(methanesulfonamido)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(methanesulfonamido)butanethioamide
PubChem CID61124286
Molecular FormulaC7H16N2O2S2
Molecular Weight224.35 g/mol
Exact Mass224.07
IUPAC Name2-ethyl-2-(methanesulfonamido)butanethioamide
SMILESCCC(CC)(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C7H16N2O2S2/c1-4-7(5-2,6(8)12)9-13(3,10)11/h9H,4-5H2,1-3H3,(H2,8,12)
InChIKeyUVKGBIIEUZYQKN-UHFFFAOYSA-N
XLogP0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.38
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-(Difluoromethylsulfonylamino)-2-ethylbutanethioamide
CID 61124289
2-Ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
CID 55259382
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
2-Methyl-2-(propan-2-ylsulfonylamino)propanethioamide
CID 61121230
2-Methyl-2-(propylsulfonylamino)propanethioamide
CID 61121430
1-(Methanesulfonamido)cyclopentane-1-carbothioamide
CID 61122654
2-Ethyl-2-(propan-2-ylsulfonylamino)butanethioamide
CID 61123097
2-Ethyl-2-(propylsulfonylamino)butanethioamide
CID 61123490
2-(Butylsulfonylamino)-2-ethylbutanethioamide
CID 61123686
2-Ethyl-2-(ethylsulfonylamino)butanethioamide
CID 61123687
2-(Cyclohexylsulfonylamino)-2-ethylbutanethioamide
CID 61123883
2-Methyl-2-(propan-2-ylsulfonylamino)butanethioamide
CID 61124085

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methanesulfonamido)butanethioamide?
The IUPAC name of 2-ethyl-2-(methanesulfonamido)butanethioamide (CID 61124286) is 2-ethyl-2-(methanesulfonamido)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(methanesulfonamido)butanethioamide?
The canonical SMILES for 2-ethyl-2-(methanesulfonamido)butanethioamide is CCC(CC)(NS(C)(=O)=O)C(N)=S.
What is the InChIKey of 2-ethyl-2-(methanesulfonamido)butanethioamide?
The InChIKey is UVKGBIIEUZYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S2/c1-4-7(5-2,6(8)12)9-13(3,10)11/h9H,4-5H2,1-3H3,(H2,8,12).
What are the key properties of 2-ethyl-2-(methanesulfonamido)butanethioamide?
2-ethyl-2-(methanesulfonamido)butanethioamide has a molecular weight of 224.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methanesulfonamido)butanethioamide is sourced from PubChem (CID 61124286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).