2-(methanesulfonamido)propanethioamide

C4H10N2O2S2 — CID 61122438

IUPAC2-(methanesulfonamido)propanethioamide
SMILESCC(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C4H10N2O2S2/c1-3(4(5)9)6-10(2,7)8/h3,6H,1-2H3,(H2,5,9)
InChIKeyAPZSOBFYMAFLFX-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.79
Rot. Bonds3

About 2-(methanesulfonamido)propanethioamide

2-(methanesulfonamido)propanethioamide (PubChem CID 61122438) has the molecular formula C4H10N2O2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(methanesulfonamido)propanethioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)propanethioamide
PubChem CID61122438
Molecular FormulaC4H10N2O2S2
Molecular Weight182.27 g/mol
Exact Mass182.02
IUPAC Name2-(methanesulfonamido)propanethioamide
SMILESCC(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C4H10N2O2S2/c1-3(4(5)9)6-10(2,7)8/h3,6H,1-2H3,(H2,5,9)
InChIKeyAPZSOBFYMAFLFX-UHFFFAOYSA-N
XLogP-0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.79
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-(Cyclopropylsulfamoyl)ethanethioamide
CID 65567396
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
2-(Difluoromethylsulfonylamino)butanethioamide
CID 61124243
2-(4,4,4-Trifluorobutylsulfonylamino)propanethioamide
CID 83058220
4-Methanesulfonylamino-thiobutyramide
CID 22246906
N-(1,3-diaminopropan-2-yl)methanesulfonamide
CID 23565344
N-(2-azido-3-sulfanylidenepropyl)methanesulfonamide
CID 53869182
N-(3-aminobutan-2-yl)methanesulfonamide
CID 53916851
N-(1-aminopropan-2-yl)methanesulfonamide
CID 61123780
2-(Methanesulfonamido)pentanethioamide
CID 61124250
N-(2-amino-propyl)-methanesulfonamide
CID 63730869
N-(2-aminobutyl)methanesulfonamide
CID 63730971

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)propanethioamide?
The IUPAC name of 2-(methanesulfonamido)propanethioamide (CID 61122438) is 2-(methanesulfonamido)propanethioamide.
What is the SMILES notation for 2-(methanesulfonamido)propanethioamide?
The canonical SMILES for 2-(methanesulfonamido)propanethioamide is CC(NS(C)(=O)=O)C(N)=S.
What is the InChIKey of 2-(methanesulfonamido)propanethioamide?
The InChIKey is APZSOBFYMAFLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S2/c1-3(4(5)9)6-10(2,7)8/h3,6H,1-2H3,(H2,5,9).
What are the key properties of 2-(methanesulfonamido)propanethioamide?
2-(methanesulfonamido)propanethioamide has a molecular weight of 182.27 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)propanethioamide is sourced from PubChem (CID 61122438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).