2-(methanesulfonamido)-2-methylpropanethioamide

C5H12N2O2S2 — CID 61119449

IUPAC2-(methanesulfonamido)-2-methylpropanethioamide
SMILESCC(C)(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-5(2,4(6)10)7-11(3,8)9/h7H,1-3H3,(H2,6,10)
InChIKeyMOPYOXXSCJYBFI-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.40
Rot. Bonds3

About 2-(methanesulfonamido)-2-methylpropanethioamide

2-(methanesulfonamido)-2-methylpropanethioamide (PubChem CID 61119449) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(methanesulfonamido)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-2-methylpropanethioamide
PubChem CID61119449
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name2-(methanesulfonamido)-2-methylpropanethioamide
SMILESCC(C)(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-5(2,4(6)10)7-11(3,8)9/h7H,1-3H3,(H2,6,10)
InChIKeyMOPYOXXSCJYBFI-UHFFFAOYSA-N
XLogP-0.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.40
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
N'-tert-butylmethanedisulfonamide
CID 14460428
N-tert-butylsulfinamoylmethanesulfonamide
CID 167420862
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-Methyl-2-(propan-2-ylsulfonylamino)butanethioamide
CID 61124085
2-Ethyl-2-(methanesulfonamido)butanethioamide
CID 61124286
2-(Methanesulfonamido)-2-methylbutanethioamide
CID 61124476
2-Methyl-2-(propylsulfonylamino)butanethioamide
CID 61124482

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-2-methylpropanethioamide?
The IUPAC name of 2-(methanesulfonamido)-2-methylpropanethioamide (CID 61119449) is 2-(methanesulfonamido)-2-methylpropanethioamide.
What is the SMILES notation for 2-(methanesulfonamido)-2-methylpropanethioamide?
The canonical SMILES for 2-(methanesulfonamido)-2-methylpropanethioamide is CC(C)(NS(C)(=O)=O)C(N)=S.
What is the InChIKey of 2-(methanesulfonamido)-2-methylpropanethioamide?
The InChIKey is MOPYOXXSCJYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c1-5(2,4(6)10)7-11(3,8)9/h7H,1-3H3,(H2,6,10).
What are the key properties of 2-(methanesulfonamido)-2-methylpropanethioamide?
2-(methanesulfonamido)-2-methylpropanethioamide has a molecular weight of 196.30 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-2-methylpropanethioamide is sourced from PubChem (CID 61119449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).