(2-methylphenyl)methyl piperidine-1-carbodithioate

C14H19NS2 — CID 150033727

IUPAC(2-methylphenyl)methyl piperidine-1-carbodithioate
SMILESCc1ccccc1CSC(=S)N1CCCCC1
InChIInChI=1S/C14H19NS2/c1-12-7-3-4-8-13(12)11-17-14(16)15-9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyDHUUIPXRXGBFPC-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.00
Rot. Bonds2

About (2-methylphenyl)methyl piperidine-1-carbodithioate

(2-methylphenyl)methyl piperidine-1-carbodithioate (PubChem CID 150033727) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is (2-methylphenyl)methyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name(2-methylphenyl)methyl piperidine-1-carbodithioate
PubChem CID150033727
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name(2-methylphenyl)methyl piperidine-1-carbodithioate
SMILESCc1ccccc1CSC(=S)N1CCCCC1
InChIInChI=1S/C14H19NS2/c1-12-7-3-4-8-13(12)11-17-14(16)15-9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyDHUUIPXRXGBFPC-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)methyl piperidine-1-carbodithioate
CID 12003838
2-phenylethyl piperidine-1-carbodithioate
CID 58637360
methyl 4-[(2-methylphenyl)methyl]piperazine-1-carbodithioate;hydrochloride
CID 19388508
3,3-diphenylbutyl piperidine-1-carbodithioate
CID 91216742
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
ethyl pyrrolidine-1-carbodithioate
CID 14287987
[2-fluoro-3-(morpholine-4-carbothioylsulfanylmethyl)phenyl]methyl morpholine-4-carbodithioate
CID 2805277
2-[(2-methylphenyl)methylsulfanyl]-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
CID 118782853
(3R)-1-acetyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 97195010
[2-(2,5-dimethylphenyl)-2-oxoethyl] azepane-1-carbodithioate
CID 134066166
(3-oxobenzo[f]chromen-1-yl)methyl pyrrolidine-1-carbodithioate
CID 4857403
[2-oxo-2-(N-phenylanilino)ethyl] piperidine-1-carbodithioate
CID 56735144

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl piperidine-1-carbodithioate?
The IUPAC name of (2-methylphenyl)methyl piperidine-1-carbodithioate (CID 150033727) is (2-methylphenyl)methyl piperidine-1-carbodithioate.
What is the SMILES notation for (2-methylphenyl)methyl piperidine-1-carbodithioate?
The canonical SMILES for (2-methylphenyl)methyl piperidine-1-carbodithioate is Cc1ccccc1CSC(=S)N1CCCCC1.
What is the InChIKey of (2-methylphenyl)methyl piperidine-1-carbodithioate?
The InChIKey is DHUUIPXRXGBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-12-7-3-4-8-13(12)11-17-14(16)15-9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of (2-methylphenyl)methyl piperidine-1-carbodithioate?
(2-methylphenyl)methyl piperidine-1-carbodithioate has a molecular weight of 265.45 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl piperidine-1-carbodithioate is sourced from PubChem (CID 150033727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).