2-(ethylsulfonylamino)propanethioamide

C5H12N2O2S2 — CID 61122242

IUPAC2-(ethylsulfonylamino)propanethioamide
SMILESCCS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-3-11(8,9)7-4(2)5(6)10/h4,7H,3H2,1-2H3,(H2,6,10)
InChIKeyXPVFHIUPCSOVAS-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.40
Rot. Bonds4

About 2-(ethylsulfonylamino)propanethioamide

2-(ethylsulfonylamino)propanethioamide (PubChem CID 61122242) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)propanethioamide
PubChem CID61122242
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name2-(ethylsulfonylamino)propanethioamide
SMILESCCS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-3-11(8,9)7-4(2)5(6)10/h4,7H,3H2,1-2H3,(H2,6,10)
InChIKeyXPVFHIUPCSOVAS-UHFFFAOYSA-N
XLogP-0.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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-(ethylsulfonylamino)propanethioamide?
The IUPAC name of 2-(ethylsulfonylamino)propanethioamide (CID 61122242) is 2-(ethylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-(ethylsulfonylamino)propanethioamide?
The canonical SMILES for 2-(ethylsulfonylamino)propanethioamide is CCS(=O)(=O)NC(C)C(N)=S.
What is the InChIKey of 2-(ethylsulfonylamino)propanethioamide?
The InChIKey is XPVFHIUPCSOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c1-3-11(8,9)7-4(2)5(6)10/h4,7H,3H2,1-2H3,(H2,6,10).
What are the key properties of 2-(ethylsulfonylamino)propanethioamide?
2-(ethylsulfonylamino)propanethioamide has a molecular weight of 196.30 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)propanethioamide is sourced from PubChem (CID 61122242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).