[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate

C19H19NOS2 — CID 3819603

IUPAC[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate
SMILESO=C(CSC(=S)c1ccccc1)NC1CCCc2ccccc21
InChIInChI=1S/C19H19NOS2/c21-18(13-23-19(22)15-8-2-1-3-9-15)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11,17H,6,10,12-13H2,(H,20,21)
InChIKeyKEGCBGZSHNXZFZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.29
Rot. Bonds4

About [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate (PubChem CID 3819603) has the molecular formula C19H19NOS2 and a molecular weight of 341.50 g/mol. Its IUPAC name is [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate
PubChem CID3819603
Molecular FormulaC19H19NOS2
Molecular Weight341.50 g/mol
Exact Mass341.09
IUPAC Name[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate
SMILESO=C(CSC(=S)c1ccccc1)NC1CCCc2ccccc21
InChIInChI=1S/C19H19NOS2/c21-18(13-23-19(22)15-8-2-1-3-9-15)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11,17H,6,10,12-13H2,(H,20,21)
InChIKeyKEGCBGZSHNXZFZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate 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-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-(2,6-dichlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543502
(2S)-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]sulfanylbutanedioic acid
CID 7673611
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7415664
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210774
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-aminobenzoate
CID 7780986
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate?
The IUPAC name of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate (CID 3819603) is [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate.
What is the SMILES notation for [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate?
The canonical SMILES for [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate is O=C(CSC(=S)c1ccccc1)NC1CCCc2ccccc21.
What is the InChIKey of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate?
The InChIKey is KEGCBGZSHNXZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS2/c21-18(13-23-19(22)15-8-2-1-3-9-15)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11,17H,6,10,12-13H2,(H,20,21).
What are the key properties of [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate?
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate has a molecular weight of 341.50 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate is sourced from PubChem (CID 3819603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).