3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide

C10H16N4O2S2 — CID 62062104

IUPAC3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide
SMILESCn1cc(S(=O)(=O)N(CCC(N)=S)C2CC2)cn1
InChIInChI=1S/C10H16N4O2S2/c1-13-7-9(6-12-13)18(15,16)14(8-2-3-8)5-4-10(11)17/h6-8H,2-5H2,1H3,(H2,11,17)
InChIKeyFLNMIGSNDHXOSG-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.25
Rot. Bonds6

About 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide

3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide (PubChem CID 62062104) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide
PubChem CID62062104
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide
SMILESCn1cc(S(=O)(=O)N(CCC(N)=S)C2CC2)cn1
InChIInChI=1S/C10H16N4O2S2/c1-13-7-9(6-12-13)18(15,16)14(8-2-3-8)5-4-10(11)17/h6-8H,2-5H2,1H3,(H2,11,17)
InChIKeyFLNMIGSNDHXOSG-UHFFFAOYSA-N
XLogP0.25
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide?
The IUPAC name of 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide (CID 62062104) is 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide is Cn1cc(S(=O)(=O)N(CCC(N)=S)C2CC2)cn1.
What is the InChIKey of 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide?
The InChIKey is FLNMIGSNDHXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-13-7-9(6-12-13)18(15,16)14(8-2-3-8)5-4-10(11)17/h6-8H,2-5H2,1H3,(H2,11,17).
What are the key properties of 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide?
3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide has a molecular weight of 288.40 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 62062104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).