2-(methanesulfonamido)butanethioamide

C5H12N2O2S2 — CID 61122638

IUPAC2-(methanesulfonamido)butanethioamide
SMILESCCC(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-3-4(5(6)10)7-11(2,8)9/h4,7H,3H2,1-2H3,(H2,6,10)
InChIKeyMIPOPRKLNOQSPB-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.40
Rot. Bonds4

About 2-(methanesulfonamido)butanethioamide

2-(methanesulfonamido)butanethioamide (PubChem CID 61122638) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(methanesulfonamido)butanethioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)butanethioamide
PubChem CID61122638
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name2-(methanesulfonamido)butanethioamide
SMILESCCC(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-3-4(5(6)10)7-11(2,8)9/h4,7H,3H2,1-2H3,(H2,6,10)
InChIKeyMIPOPRKLNOQSPB-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

2-(Difluoromethylsulfonylamino)pentanethioamide
CID 61122650
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
2-(Difluoromethylsulfonylamino)butanethioamide
CID 61124243
3-(Difluoromethylsulfonylamino)butanethioamide
CID 62094789
4-Methanesulfonylamino-thiobutyramide
CID 22246906
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
N-[(2R)-1-aminopropan-2-yl]methanesulfonamide
CID 89076791

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)butanethioamide?
The IUPAC name of 2-(methanesulfonamido)butanethioamide (CID 61122638) is 2-(methanesulfonamido)butanethioamide.
What is the SMILES notation for 2-(methanesulfonamido)butanethioamide?
The canonical SMILES for 2-(methanesulfonamido)butanethioamide is CCC(NS(C)(=O)=O)C(N)=S.
What is the InChIKey of 2-(methanesulfonamido)butanethioamide?
The InChIKey is MIPOPRKLNOQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c1-3-4(5(6)10)7-11(2,8)9/h4,7H,3H2,1-2H3,(H2,6,10).
What are the key properties of 2-(methanesulfonamido)butanethioamide?
2-(methanesulfonamido)butanethioamide 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-(methanesulfonamido)butanethioamide is sourced from PubChem (CID 61122638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).