3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide

C8H17N3O2S2 — CID 114808211

IUPAC3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
SMILESCCN(CCC(N)=S)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H17N3O2S2/c1-2-11(6-5-8(9)14)15(12,13)10-7-3-4-7/h7,10H,2-6H2,1H3,(H2,9,14)
InChIKeyFQFGMKACKOMINU-UHFFFAOYSA-N
MW251.38 g/mol
LogP-0.02
Rot. Bonds7

About 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide

3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide (PubChem CID 114808211) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
PubChem CID114808211
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
SMILESCCN(CCC(N)=S)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H17N3O2S2/c1-2-11(6-5-8(9)14)15(12,13)10-7-3-4-7/h7,10H,2-6H2,1H3,(H2,9,14)
InChIKeyFQFGMKACKOMINU-UHFFFAOYSA-N
XLogP-0.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 5-0.02
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(propan-2-yl)amino]propanethioamide
CID 114808224
1,4-bis(diethylsulfamoylamino)cyclohexane
CID 31065973
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
CID 43653561
(diethylsulfamoylamino)cyclopentane
CID 60713674
methyl 2-[cyclopropylsulfamoyl(ethyl)amino]acetate
CID 114383181
3-[cyclopropylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978377
3-[cyclopropylsulfamoyl(2-methoxyethyl)amino]propanimidamide
CID 114813460
methyl 3-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]propanoate
CID 54992634
methyl 4-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]butanoate
CID 54992633
[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
CID 114803918
1-amino-3-(dipropylsulfamoylamino)cyclobutane
CID 43597733

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide (CID 114808211) is 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide is CCN(CCC(N)=S)S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide?
The InChIKey is FQFGMKACKOMINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-2-11(6-5-8(9)14)15(12,13)10-7-3-4-7/h7,10H,2-6H2,1H3,(H2,9,14).
What are the key properties of 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide?
3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide has a molecular weight of 251.38 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide is sourced from PubChem (CID 114808211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).