2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide

C11H23N3O3S2 — CID 106338832

IUPAC2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCCS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C11H23N3O3S2/c1-5-11(6-2,9(12)18)10(15)13-7-8-19(16,17)14(3)4/h5-8H2,1-4H3,(H2,12,18)(H,13,15)
InChIKeyGPYLLFATICWWNV-UHFFFAOYSA-N
MW309.46 g/mol
LogP0.09
Rot. Bonds8

About 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide

2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide (PubChem CID 106338832) has the molecular formula C11H23N3O3S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide
PubChem CID106338832
Molecular FormulaC11H23N3O3S2
Molecular Weight309.46 g/mol
Exact Mass309.12
IUPAC Name2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCCS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C11H23N3O3S2/c1-5-11(6-2,9(12)18)10(15)13-7-8-19(16,17)14(3)4/h5-8H2,1-4H3,(H2,12,18)(H,13,15)
InChIKeyGPYLLFATICWWNV-UHFFFAOYSA-N
XLogP0.09
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
CID 63960224
2-carbamothioyl-2-ethyl-N-(5-methylhexyl)butanamide
CID 115325676
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea
CID 106335688
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
2-carbamothioyl-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylbutanamide
CID 114127743
1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 106338824
2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
CID 114098052
2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83143832

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide (CID 106338832) is 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide is CCC(CC)(C(=O)NCCS(=O)(=O)N(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide?
The InChIKey is GPYLLFATICWWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S2/c1-5-11(6-2,9(12)18)10(15)13-7-8-19(16,17)14(3)4/h5-8H2,1-4H3,(H2,12,18)(H,13,15).
What are the key properties of 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide?
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide has a molecular weight of 309.46 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 106338832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).