2-methyl-2-(propylsulfonylamino)propanethioamide

C7H16N2O2S2 — CID 61121430

IUPAC2-methyl-2-(propylsulfonylamino)propanethioamide
SMILESCCCS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C7H16N2O2S2/c1-4-5-13(10,11)9-7(2,3)6(8)12/h9H,4-5H2,1-3H3,(H2,8,12)
InChIKeyQMAWMTQVBGLGGI-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.38
Rot. Bonds5

About 2-methyl-2-(propylsulfonylamino)propanethioamide

2-methyl-2-(propylsulfonylamino)propanethioamide (PubChem CID 61121430) has the molecular formula C7H16N2O2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(propylsulfonylamino)propanethioamide
PubChem CID61121430
Molecular FormulaC7H16N2O2S2
Molecular Weight224.35 g/mol
Exact Mass224.07
IUPAC Name2-methyl-2-(propylsulfonylamino)propanethioamide
SMILESCCCS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C7H16N2O2S2/c1-4-5-13(10,11)9-7(2,3)6(8)12/h9H,4-5H2,1-3H3,(H2,8,12)
InChIKeyQMAWMTQVBGLGGI-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-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
CID 83058219
N-(Tert-butyl)-2-propanesulfonamide
CID 19611836
N-tert-butylpropane-1-sulfonamide
CID 57176664
N'-tert-butylethane-1,2-disulfonamide
CID 87286911
1-N,1-N'-ditert-butylethane-1,1-disulfonamide
CID 316142
2-Ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
CID 55259382
2-(Cyclohexylsulfonylamino)-2-methylpropanethioamide
CID 61119255
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
2-Methyl-2-(propan-2-ylsulfonylamino)propanethioamide
CID 61121230
2-(Butylsulfonylamino)-2-methylpropanethioamide
CID 61121627
2-(Ethylsulfonylamino)-2-methylpropanethioamide
CID 61121628
2-(Butylsulfonylamino)propanethioamide
CID 61122241

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylsulfonylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(propylsulfonylamino)propanethioamide (CID 61121430) is 2-methyl-2-(propylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(propylsulfonylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(propylsulfonylamino)propanethioamide is CCCS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-methyl-2-(propylsulfonylamino)propanethioamide?
The InChIKey is QMAWMTQVBGLGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S2/c1-4-5-13(10,11)9-7(2,3)6(8)12/h9H,4-5H2,1-3H3,(H2,8,12).
What are the key properties of 2-methyl-2-(propylsulfonylamino)propanethioamide?
2-methyl-2-(propylsulfonylamino)propanethioamide 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-methyl-2-(propylsulfonylamino)propanethioamide is sourced from PubChem (CID 61121430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).