3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide

C17H26N2S — CID 63771080

IUPAC3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
SMILESCC(C)N(CCC(N)=S)CC1CCCc2ccccc21
InChIInChI=1S/C17H26N2S/c1-13(2)19(11-10-17(18)20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15H,5,7-8,10-12H2,1-2H3,(H2,18,20)
InChIKeyLLCJLSWZHOSDII-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.49
Rot. Bonds6

About 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide

3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide (PubChem CID 63771080) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
PubChem CID63771080
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
SMILESCC(C)N(CCC(N)=S)CC1CCCc2ccccc21
InChIInChI=1S/C17H26N2S/c1-13(2)19(11-10-17(18)20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15H,5,7-8,10-12H2,1-2H3,(H2,18,20)
InChIKeyLLCJLSWZHOSDII-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide?
The IUPAC name of 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide (CID 63771080) is 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide.
What is the SMILES notation for 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide?
The canonical SMILES for 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide is CC(C)N(CCC(N)=S)CC1CCCc2ccccc21.
What is the InChIKey of 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide?
The InChIKey is LLCJLSWZHOSDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-13(2)19(11-10-17(18)20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15H,5,7-8,10-12H2,1-2H3,(H2,18,20).
What are the key properties of 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide?
3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide has a molecular weight of 290.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide is sourced from PubChem (CID 63771080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).