2-(propylsulfamoylamino)propanethioamide

C6H15N3O2S2 — CID 114808117

IUPAC2-(propylsulfamoylamino)propanethioamide
SMILESCCCNS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-3-4-8-13(10,11)9-5(2)6(7)12/h5,8-9H,3-4H2,1-2H3,(H2,7,12)
InChIKeyJNYGPGSRRBGISP-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.50
Rot. Bonds6

About 2-(propylsulfamoylamino)propanethioamide

2-(propylsulfamoylamino)propanethioamide (PubChem CID 114808117) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(propylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-(propylsulfamoylamino)propanethioamide
PubChem CID114808117
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-(propylsulfamoylamino)propanethioamide
SMILESCCCNS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-3-4-8-13(10,11)9-5(2)6(7)12/h5,8-9H,3-4H2,1-2H3,(H2,7,12)
InChIKeyJNYGPGSRRBGISP-UHFFFAOYSA-N
XLogP-0.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfamoylamino)propanethioamide?
The IUPAC name of 2-(propylsulfamoylamino)propanethioamide (CID 114808117) is 2-(propylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-(propylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-(propylsulfamoylamino)propanethioamide is CCCNS(=O)(=O)NC(C)C(N)=S.
What is the InChIKey of 2-(propylsulfamoylamino)propanethioamide?
The InChIKey is JNYGPGSRRBGISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-3-4-8-13(10,11)9-5(2)6(7)12/h5,8-9H,3-4H2,1-2H3,(H2,7,12).
What are the key properties of 2-(propylsulfamoylamino)propanethioamide?
2-(propylsulfamoylamino)propanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).