[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate

C19H28N2OS2 — CID 8938468

IUPAC[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2OS2/c1-4-21(5-2)19(23)24-13-18(22)20-14(3)16-11-10-15-8-6-7-9-17(15)12-16/h10-12,14H,4-9,13H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyZOJGNESABXBXDO-AWEZNQCLSA-N
MW364.58 g/mol
LogP4.10
Rot. Bonds6

About [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate

[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate (PubChem CID 8938468) has the molecular formula C19H28N2OS2 and a molecular weight of 364.58 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate
PubChem CID8938468
Molecular FormulaC19H28N2OS2
Molecular Weight364.58 g/mol
Exact Mass364.16
IUPAC Name[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2OS2/c1-4-21(5-2)19(23)24-13-18(22)20-14(3)16-11-10-15-8-6-7-9-17(15)12-16/h10-12,14H,4-9,13H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyZOJGNESABXBXDO-AWEZNQCLSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate 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

[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] pyrrolidine-1-carbodithioate
CID 8950878
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841301
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 95685565
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9060526
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8873161
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190952
[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8681460
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8953766
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 16619960

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate?
The IUPAC name of [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate (CID 8938468) is [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate?
The InChIKey is ZOJGNESABXBXDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N2OS2/c1-4-21(5-2)19(23)24-13-18(22)20-14(3)16-11-10-15-8-6-7-9-17(15)12-16/h10-12,14H,4-9,13H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate?
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate has a molecular weight of 364.58 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 8938468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).