2-(methanesulfonamido)pentanethioamide

C6H14N2O2S2 — CID 61124250

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

About 2-(methanesulfonamido)pentanethioamide

2-(methanesulfonamido)pentanethioamide (PubChem CID 61124250) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(methanesulfonamido)pentanethioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)pentanethioamide
PubChem CID61124250
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(methanesulfonamido)pentanethioamide
SMILESCCCC(NS(C)(=O)=O)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-3-4-5(6(7)11)8-12(2,9)10/h5,8H,3-4H2,1-2H3,(H2,7,11)
InChIKeySRWGRJXGZLUWLA-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

2-(Difluoromethylsulfonylamino)pentanethioamide
CID 61122650
2-(Difluoromethylsulfonylamino)butanethioamide
CID 61124243
3-(Difluoromethylsulfonylamino)pentanethioamide
CID 62652559
4-Methanesulfonylamino-thiobutyramide
CID 22246906
N-[(2R)-2-aminohexyl]methanesulfonamide
CID 122599145
2-amino-N-pentyl-1-sulfanylidenepropane-1-sulfonamide
CID 123503116
2-(Propylsulfonylamino)propanethioamide
CID 61122044
2-(Butylsulfonylamino)propanethioamide
CID 61122241
2-(Ethylsulfonylamino)propanethioamide
CID 61122242
2-(Methanesulfonamido)propanethioamide
CID 61122438
2-(Methanesulfonamido)butanethioamide
CID 61122638
2-(Propan-2-ylsulfonylamino)butanethioamide
CID 61122844

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)pentanethioamide?
The IUPAC name of 2-(methanesulfonamido)pentanethioamide (CID 61124250) is 2-(methanesulfonamido)pentanethioamide.
What is the SMILES notation for 2-(methanesulfonamido)pentanethioamide?
The canonical SMILES for 2-(methanesulfonamido)pentanethioamide is CCCC(NS(C)(=O)=O)C(N)=S.
What is the InChIKey of 2-(methanesulfonamido)pentanethioamide?
The InChIKey is SRWGRJXGZLUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-3-4-5(6(7)11)8-12(2,9)10/h5,8H,3-4H2,1-2H3,(H2,7,11).
What are the key properties of 2-(methanesulfonamido)pentanethioamide?
2-(methanesulfonamido)pentanethioamide 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-(methanesulfonamido)pentanethioamide is sourced from PubChem (CID 61124250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).