3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide

C9H19N3O2S2 — CID 114808224

IUPAC3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide
SMILESCC(C)N(CCC(N)=S)S(=O)(=O)NC1CC1
InChIInChI=1S/C9H19N3O2S2/c1-7(2)12(6-5-9(10)15)16(13,14)11-8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H2,10,15)
InChIKeyMPNOQOCICFQTEH-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds7

About 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide

3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide (PubChem CID 114808224) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide
PubChem CID114808224
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide
SMILESCC(C)N(CCC(N)=S)S(=O)(=O)NC1CC1
InChIInChI=1S/C9H19N3O2S2/c1-7(2)12(6-5-9(10)15)16(13,14)11-8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H2,10,15)
InChIKeyMPNOQOCICFQTEH-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.37
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-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
CID 114808211
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998000
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
3-[3-methoxypropylsulfonyl(propan-2-yl)amino]propanethioamide
CID 55171154
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
CID 114808235
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
1-amino-4-[bis(3-methylbutyl)sulfamoylamino]cyclohexane;hydrochloride
CID 119970554
3-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 79987516

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide (CID 114808224) is 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide is CC(C)N(CCC(N)=S)S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide?
The InChIKey is MPNOQOCICFQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-7(2)12(6-5-9(10)15)16(13,14)11-8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H2,10,15).
What are the key properties of 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide?
3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(propan-2-yl)amino]propanethioamide is sourced from PubChem (CID 114808224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).