3-[dodecyl(methyl)amino]propanethioamide

C16H34N2S — CID 63515133

IUPAC3-[dodecyl(methyl)amino]propanethioamide
SMILESCCCCCCCCCCCCN(C)CCC(N)=S
InChIInChI=1S/C16H34N2S/c1-3-4-5-6-7-8-9-10-11-12-14-18(2)15-13-16(17)19/h3-15H2,1-2H3,(H2,17,19)
InChIKeyNCPNREAXOCTJIR-UHFFFAOYSA-N
MW286.53 g/mol
LogP4.52
Rot. Bonds14

About 3-[dodecyl(methyl)amino]propanethioamide

3-[dodecyl(methyl)amino]propanethioamide (PubChem CID 63515133) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 3-[dodecyl(methyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[dodecyl(methyl)amino]propanethioamide
PubChem CID63515133
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name3-[dodecyl(methyl)amino]propanethioamide
SMILESCCCCCCCCCCCCN(C)CCC(N)=S
InChIInChI=1S/C16H34N2S/c1-3-4-5-6-7-8-9-10-11-12-14-18(2)15-13-16(17)19/h3-15H2,1-2H3,(H2,17,19)
InChIKeyNCPNREAXOCTJIR-UHFFFAOYSA-N
XLogP4.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[dodecyl(methyl)amino]propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739

Frequently Asked Questions

What is the IUPAC name of 3-[dodecyl(methyl)amino]propanethioamide?
The IUPAC name of 3-[dodecyl(methyl)amino]propanethioamide (CID 63515133) is 3-[dodecyl(methyl)amino]propanethioamide.
What is the SMILES notation for 3-[dodecyl(methyl)amino]propanethioamide?
The canonical SMILES for 3-[dodecyl(methyl)amino]propanethioamide is CCCCCCCCCCCCN(C)CCC(N)=S.
What is the InChIKey of 3-[dodecyl(methyl)amino]propanethioamide?
The InChIKey is NCPNREAXOCTJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-3-4-5-6-7-8-9-10-11-12-14-18(2)15-13-16(17)19/h3-15H2,1-2H3,(H2,17,19).
What are the key properties of 3-[dodecyl(methyl)amino]propanethioamide?
3-[dodecyl(methyl)amino]propanethioamide has a molecular weight of 286.53 g/mol, XLogP of 4.52, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dodecyl(methyl)amino]propanethioamide is sourced from PubChem (CID 63515133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).