2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide

C10H21N3O3S2 — CID 114175472

IUPAC2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCS(=O)(=O)NCC)C(N)=S
InChIInChI=1S/C10H21N3O3S2/c1-3-5-8(9(11)17)10(14)12-6-7-18(15,16)13-4-2/h8,13H,3-7H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyCGLHYCVFRZOOAR-UHFFFAOYSA-N
MW295.43 g/mol
LogP-0.26
Rot. Bonds9

About 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide

2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide (PubChem CID 114175472) has the molecular formula C10H21N3O3S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
PubChem CID114175472
Molecular FormulaC10H21N3O3S2
Molecular Weight295.43 g/mol
Exact Mass295.10
IUPAC Name2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCS(=O)(=O)NCC)C(N)=S
InChIInChI=1S/C10H21N3O3S2/c1-3-5-8(9(11)17)10(14)12-6-7-18(15,16)13-4-2/h8,13H,3-7H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyCGLHYCVFRZOOAR-UHFFFAOYSA-N
XLogP-0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 103832741
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
2-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pentanamide
CID 62641517
2-carbamothioyl-N-(2-propan-2-yloxyethyl)pentanamide
CID 104761692
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493
(2S)-2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-methylpentanamide
CID 103833076
2-carbamothioyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
CID 106428805
N-[2-(ethylsulfamoyl)ethyl]-3-methyl-2-sulfanylbutanamide
CID 106340115
3-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
CID 106335463
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)pentanamide
CID 76926405

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide (CID 114175472) is 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide is CCCC(C(=O)NCCS(=O)(=O)NCC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide?
The InChIKey is CGLHYCVFRZOOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S2/c1-3-5-8(9(11)17)10(14)12-6-7-18(15,16)13-4-2/h8,13H,3-7H2,1-2H3,(H2,11,17)(H,12,14).
What are the key properties of 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide?
2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide has a molecular weight of 295.43 g/mol, XLogP of -0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-(ethylsulfamoyl)ethyl]pentanamide is sourced from PubChem (CID 114175472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).