2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide

C11H22N2OS2 — CID 63960224

IUPAC2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
SMILESCCC(CC)(C(=O)NCCCSC)C(N)=S
InChIInChI=1S/C11H22N2OS2/c1-4-11(5-2,9(12)15)10(14)13-7-6-8-16-3/h4-8H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyMEBJYWXXDWHYSR-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.95
Rot. Bonds8

About 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide

2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide (PubChem CID 63960224) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
PubChem CID63960224
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide
SMILESCCC(CC)(C(=O)NCCCSC)C(N)=S
InChIInChI=1S/C11H22N2OS2/c1-4-11(5-2,9(12)15)10(14)13-7-6-8-16-3/h4-8H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyMEBJYWXXDWHYSR-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-2-ethyl-N-(5-methylhexyl)butanamide
CID 115325676
2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
CID 115760384
2-carbamothioyl-2-ethyl-N-methyl-N-(3-methylsulfanylpropyl)butanamide
CID 114237236
2-carbamothioyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 114536914
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]-2-ethylbutanamide
CID 106338832
2-carbamothioyl-N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylbutanamide
CID 114127743
2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
CID 114098052
2-carbamothioyl-N-(4-methylpentyl)-2-propylpentanamide
CID 63004557
2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83143832
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812
2-amino-2-methyl-N-(2-methylsulfanylethyl)butanamide
CID 79811350
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide?
The IUPAC name of 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide (CID 63960224) is 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide is CCC(CC)(C(=O)NCCCSC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide?
The InChIKey is MEBJYWXXDWHYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-4-11(5-2,9(12)15)10(14)13-7-6-8-16-3/h4-8H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide?
2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide has a molecular weight of 262.44 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-ethyl-N-(3-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 63960224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).