2-(methanesulfonamido)-2-methylbutanethioamide

C6H14N2O2S2 — CID 61124476

IUPAC2-(methanesulfonamido)-2-methylbutanethioamide
SMILESCCC(C)(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-4-6(2,5(7)11)8-12(3,9)10/h8H,4H2,1-3H3,(H2,7,11)
InChIKeyRTVBGKBGOPOLDV-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.01
Rot. Bonds4

About 2-(methanesulfonamido)-2-methylbutanethioamide

2-(methanesulfonamido)-2-methylbutanethioamide (PubChem CID 61124476) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(methanesulfonamido)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-2-methylbutanethioamide
PubChem CID61124476
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(methanesulfonamido)-2-methylbutanethioamide
SMILESCCC(C)(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-4-6(2,5(7)11)8-12(3,9)10/h8H,4H2,1-3H3,(H2,7,11)
InChIKeyRTVBGKBGOPOLDV-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.01
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-methylpropanethioamide
CID 61118851
2-(Difluoromethylsulfonylamino)-2-methylbutanethioamide
CID 61122484
2-(Difluoromethylsulfonylamino)-2-ethylbutanethioamide
CID 61124289
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
2-(Ethylsulfonylamino)-2-methylpropanethioamide
CID 61121628
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

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-2-methylbutanethioamide?
The IUPAC name of 2-(methanesulfonamido)-2-methylbutanethioamide (CID 61124476) is 2-(methanesulfonamido)-2-methylbutanethioamide.
What is the SMILES notation for 2-(methanesulfonamido)-2-methylbutanethioamide?
The canonical SMILES for 2-(methanesulfonamido)-2-methylbutanethioamide is CCC(C)(NS(C)(=O)=O)C(N)=S.
What is the InChIKey of 2-(methanesulfonamido)-2-methylbutanethioamide?
The InChIKey is RTVBGKBGOPOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-4-6(2,5(7)11)8-12(3,9)10/h8H,4H2,1-3H3,(H2,7,11).
What are the key properties of 2-(methanesulfonamido)-2-methylbutanethioamide?
2-(methanesulfonamido)-2-methylbutanethioamide has a molecular weight of 210.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-2-methylbutanethioamide is sourced from PubChem (CID 61124476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).