2-(diethylsulfamoylamino)pentanethioamide

C9H21N3O2S2 — CID 61122652

IUPAC2-(diethylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N(CC)CC)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-4-7-8(9(10)15)11-16(13,14)12(5-2)6-3/h8,11H,4-7H2,1-3H3,(H2,10,15)
InChIKeyXHYSSDZMJCLFNY-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.62
Rot. Bonds8

About 2-(diethylsulfamoylamino)pentanethioamide

2-(diethylsulfamoylamino)pentanethioamide (PubChem CID 61122652) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)pentanethioamide
PubChem CID61122652
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-(diethylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N(CC)CC)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-4-7-8(9(10)15)11-16(13,14)12(5-2)6-3/h8,11H,4-7H2,1-3H3,(H2,10,15)
InChIKeyXHYSSDZMJCLFNY-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.62
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-[(2-Methylpiperidin-1-yl)sulfonylamino]butanethioamide
CID 55033380
3-(Piperidin-1-ylsulfonylamino)pentanethioamide
CID 55101686
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-(Azepan-1-ylsulfonylamino)pentanethioamide
CID 61123456
2-[(2-Methylpiperidin-1-yl)sulfonylamino]pentanethioamide
CID 61123655
2-(Azepan-1-ylsulfonylamino)propanethioamide
CID 61123835
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852
2-[(2-Methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 61124039
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)pentanethioamide?
The IUPAC name of 2-(diethylsulfamoylamino)pentanethioamide (CID 61122652) is 2-(diethylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)pentanethioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)pentanethioamide is CCCC(NS(=O)(=O)N(CC)CC)C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)pentanethioamide?
The InChIKey is XHYSSDZMJCLFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-4-7-8(9(10)15)11-16(13,14)12(5-2)6-3/h8,11H,4-7H2,1-3H3,(H2,10,15).
What are the key properties of 2-(diethylsulfamoylamino)pentanethioamide?
2-(diethylsulfamoylamino)pentanethioamide has a molecular weight of 267.42 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 61122652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).