2-methyl-2-(propylsulfamoylamino)propanethioamide

C7H17N3O2S2 — CID 114808110

IUPAC2-methyl-2-(propylsulfamoylamino)propanethioamide
SMILESCCCNS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-5-9-14(11,12)10-7(2,3)6(8)13/h9-10H,4-5H2,1-3H3,(H2,8,13)
InChIKeyJXACRYGVIOAWGG-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.11
Rot. Bonds6

About 2-methyl-2-(propylsulfamoylamino)propanethioamide

2-methyl-2-(propylsulfamoylamino)propanethioamide (PubChem CID 114808110) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(propylsulfamoylamino)propanethioamide
PubChem CID114808110
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-methyl-2-(propylsulfamoylamino)propanethioamide
SMILESCCCNS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-5-9-14(11,12)10-7(2,3)6(8)13/h9-10H,4-5H2,1-3H3,(H2,8,13)
InChIKeyJXACRYGVIOAWGG-UHFFFAOYSA-N
XLogP-0.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454018
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454019
2-(Tert-butylsulfonylamino)propanethioamide
CID 63689352
2-[[2-(Methanesulfonamido)-2-methylpropyl]sulfamoyl]ethanethioamide
CID 65598324
N'-(tert-butylsulfamoyl)ethane-1,2-diamine
CID 114803625
2-methyl-2-N-(propylsulfamoyl)propane-1,2-diamine
CID 114803660
2-(Ethylsulfamoylamino)ethanethioamide
CID 114808101
2-(Propylsulfamoylamino)ethanethioamide
CID 114808103
2-(Propan-2-ylsulfamoylamino)ethanethioamide
CID 114808104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylsulfamoylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(propylsulfamoylamino)propanethioamide (CID 114808110) is 2-methyl-2-(propylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(propylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(propylsulfamoylamino)propanethioamide is CCCNS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-methyl-2-(propylsulfamoylamino)propanethioamide?
The InChIKey is JXACRYGVIOAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-4-5-9-14(11,12)10-7(2,3)6(8)13/h9-10H,4-5H2,1-3H3,(H2,8,13).
What are the key properties of 2-methyl-2-(propylsulfamoylamino)propanethioamide?
2-methyl-2-(propylsulfamoylamino)propanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).