N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide

C19H39N3OS — CID 54791242

IUPACN-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(=S)NCCN(C)C
InChIInChI=1S/C19H39N3OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23)21-19(24)20-16-17-22(2)3/h4-17H2,1-3H3,(H2,20,21,23,24)
InChIKeyRUEFZUFBNVJUDR-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.24
Rot. Bonds15

About N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide

N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide (PubChem CID 54791242) has the molecular formula C19H39N3OS and a molecular weight of 357.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide
PubChem CID54791242
Molecular FormulaC19H39N3OS
Molecular Weight357.61 g/mol
Exact Mass357.28
IUPAC NameN-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NC(=S)NCCN(C)C
InChIInChI=1S/C19H39N3OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23)21-19(24)20-16-17-22(2)3/h4-17H2,1-3H3,(H2,20,21,23,24)
InChIKeyRUEFZUFBNVJUDR-UHFFFAOYSA-N
XLogP4.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.24
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

N-[3-(dimethylamino)propanoyl]octadecanamide
CID 88681823
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-(2-phenylethylcarbamothioyl)heptanamide
CID 54789032
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-(octadec-9-enoylcarbamothioyl)octadec-9-enamide
CID 173415612
N-decanoyldecanamide
CID 87914075
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide?
The IUPAC name of N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide (CID 54791242) is N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide?
The canonical SMILES for N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NC(=S)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide?
The InChIKey is RUEFZUFBNVJUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23)21-19(24)20-16-17-22(2)3/h4-17H2,1-3H3,(H2,20,21,23,24).
What are the key properties of N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide?
N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide has a molecular weight of 357.61 g/mol, XLogP of 4.24, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethylcarbamothioyl]tetradecanamide is sourced from PubChem (CID 54791242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).