3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione

C16H20N2S2 — CID 51965493

IUPAC3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CN(C1CC1)[C@H]1CCc2ccccc21
InChIInChI=1S/C16H20N2S2/c19-16-17(9-10-20-16)11-18(13-6-7-13)15-8-5-12-3-1-2-4-14(12)15/h1-4,13,15H,5-11H2/t15-/m0/s1
InChIKeyLQPWLVMQVLKSRL-HNNXBMFYSA-N
MW304.48 g/mol
LogP3.43
Rot. Bonds4

About 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione

3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione (PubChem CID 51965493) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione
PubChem CID51965493
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC Name3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CN(C1CC1)[C@H]1CCc2ccccc21
InChIInChI=1S/C16H20N2S2/c19-16-17(9-10-20-16)11-18(13-6-7-13)15-8-5-12-3-1-2-4-14(12)15/h1-4,13,15H,5-11H2/t15-/m0/s1
InChIKeyLQPWLVMQVLKSRL-HNNXBMFYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione with MolForge

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Related Compounds

(1S)-N-cyclopropyl-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 95164534
N-cyclopropyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 56525607
methyl 1-[[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]methyl]triazole-4-carboxylate
CID 51092854
4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one
CID 56821521
N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 51097225
2-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
CID 47089126
2-[2,3-dihydro-1H-inden-1-yl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65059735
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
3-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 56525625
N-(2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 55203622

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione?
The IUPAC name of 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione (CID 51965493) is 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione is S=C1SCCN1CN(C1CC1)[C@H]1CCc2ccccc21.
What is the InChIKey of 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione?
The InChIKey is LQPWLVMQVLKSRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2S2/c19-16-17(9-10-20-16)11-18(13-6-7-13)15-8-5-12-3-1-2-4-14(12)15/h1-4,13,15H,5-11H2/t15-/m0/s1.
What are the key properties of 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione?
3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione has a molecular weight of 304.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1,3-thiazolidine-2-thione is sourced from PubChem (CID 51965493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).