2-(dimethylsulfamoylamino)pentanethioamide

C7H17N3O2S2 — CID 61123852

IUPAC2-(dimethylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-5-6(7(8)13)9-14(11,12)10(2)3/h6,9H,4-5H2,1-3H3,(H2,8,13)
InChIKeyKLZNNPUMYDHJJL-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.16
Rot. Bonds6

About 2-(dimethylsulfamoylamino)pentanethioamide

2-(dimethylsulfamoylamino)pentanethioamide (PubChem CID 61123852) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)pentanethioamide
PubChem CID61123852
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-(dimethylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-5-6(7(8)13)9-14(11,12)10(2)3/h6,9H,4-5H2,1-3H3,(H2,8,13)
InChIKeyKLZNNPUMYDHJJL-UHFFFAOYSA-N
XLogP-0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.16
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-(Methanesulfonamido)pentanethioamide
CID 61124250
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Piperidin-1-ylsulfonylamino)pentanethioamide
CID 61122653
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Pyrrolidin-1-ylsulfonylamino)pentanethioamide
CID 61123062
2-(Piperidin-1-ylsulfonylamino)propanethioamide
CID 61123237
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244
2-(Piperidin-1-ylsulfonylamino)butanethioamide
CID 61124245
2-(Dimethylsulfamoylamino)butanethioamide
CID 61125040
1-Amino-2-(dimethylsulfamoylamino)pentane
CID 61134212
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 61454017

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)pentanethioamide?
The IUPAC name of 2-(dimethylsulfamoylamino)pentanethioamide (CID 61123852) is 2-(dimethylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)pentanethioamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)pentanethioamide is CCCC(NS(=O)(=O)N(C)C)C(N)=S.
What is the InChIKey of 2-(dimethylsulfamoylamino)pentanethioamide?
The InChIKey is KLZNNPUMYDHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-4-5-6(7(8)13)9-14(11,12)10(2)3/h6,9H,4-5H2,1-3H3,(H2,8,13).
What are the key properties of 2-(dimethylsulfamoylamino)pentanethioamide?
2-(dimethylsulfamoylamino)pentanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 61123852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).