2-(propylsulfonylamino)propanethioamide

C6H14N2O2S2 — CID 61122044

IUPAC2-(propylsulfonylamino)propanethioamide
SMILESCCCS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-3-4-12(9,10)8-5(2)6(7)11/h5,8H,3-4H2,1-2H3,(H2,7,11)
InChIKeyWSLNFYHOEXUQSV-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-(propylsulfonylamino)propanethioamide

2-(propylsulfonylamino)propanethioamide (PubChem CID 61122044) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(propylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)propanethioamide
PubChem CID61122044
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(propylsulfonylamino)propanethioamide
SMILESCCCS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-3-4-12(9,10)8-5(2)6(7)11/h5,8H,3-4H2,1-2H3,(H2,7,11)
InChIKeyWSLNFYHOEXUQSV-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-Amino-4-sulfanylbutane-1-sulfonamide
CID 10607562
(3R)-3-amino-4-sulfanylbutane-1-sulfonamide
CID 44365833
2-amino-N-(propan-2-yl)ethane-1-sulfonamide hydrochloride
CID 47002472
2-(Cyclopropylsulfamoyl)ethanethioamide
CID 65567396
2-amino-N,N-dimethylpropane-1-sulfonamide
CID 82074759
(2R)-2-aminopropane-1-sulfonamide
CID 137952112
Aminoethanesulfonic acid isopropylamide hydrochloride
CID 129869090
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
2-(4,4,4-Trifluorobutylsulfonylamino)propanethioamide
CID 83058220
2-(4,4,4-Trifluorobutylsulfonylamino)butanethioamide
CID 83058364
2-(4,4,4-Trifluorobutan-2-ylsulfamoyl)ethanethioamide
CID 105933894
2-(4,4,4-Trifluorobutan-2-ylsulfamoyl)propanethioamide
CID 105933901

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)propanethioamide?
The IUPAC name of 2-(propylsulfonylamino)propanethioamide (CID 61122044) is 2-(propylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-(propylsulfonylamino)propanethioamide?
The canonical SMILES for 2-(propylsulfonylamino)propanethioamide is CCCS(=O)(=O)NC(C)C(N)=S.
What is the InChIKey of 2-(propylsulfonylamino)propanethioamide?
The InChIKey is WSLNFYHOEXUQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-3-4-12(9,10)8-5(2)6(7)11/h5,8H,3-4H2,1-2H3,(H2,7,11).
What are the key properties of 2-(propylsulfonylamino)propanethioamide?
2-(propylsulfonylamino)propanethioamide has a molecular weight of 210.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)propanethioamide is sourced from PubChem (CID 61122044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).