5-(methylsulfamoylamino)pentanethioamide

C6H15N3O2S2 — CID 114808442

IUPAC5-(methylsulfamoylamino)pentanethioamide
SMILESCNS(=O)(=O)NCCCCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-8-13(10,11)9-5-3-2-4-6(7)12/h8-9H,2-5H2,1H3,(H2,7,12)
InChIKeyXUIHFTBFSVIYHP-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.50
Rot. Bonds7

About 5-(methylsulfamoylamino)pentanethioamide

5-(methylsulfamoylamino)pentanethioamide (PubChem CID 114808442) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-(methylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name5-(methylsulfamoylamino)pentanethioamide
PubChem CID114808442
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name5-(methylsulfamoylamino)pentanethioamide
SMILESCNS(=O)(=O)NCCCCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-8-13(10,11)9-5-3-2-4-6(7)12/h8-9H,2-5H2,1H3,(H2,7,12)
InChIKeyXUIHFTBFSVIYHP-UHFFFAOYSA-N
XLogP-0.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfamoylamino)pentanethioamide?
The IUPAC name of 5-(methylsulfamoylamino)pentanethioamide (CID 114808442) is 5-(methylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 5-(methylsulfamoylamino)pentanethioamide?
The canonical SMILES for 5-(methylsulfamoylamino)pentanethioamide is CNS(=O)(=O)NCCCCC(N)=S.
What is the InChIKey of 5-(methylsulfamoylamino)pentanethioamide?
The InChIKey is XUIHFTBFSVIYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-8-13(10,11)9-5-3-2-4-6(7)12/h8-9H,2-5H2,1H3,(H2,7,12).
What are the key properties of 5-(methylsulfamoylamino)pentanethioamide?
5-(methylsulfamoylamino)pentanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 114808442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).