propyl 4-methylsulfanylpiperidine-1-carboxylate

C10H19NO2S — CID 123521440

IUPACpropyl 4-methylsulfanylpiperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(SC)CC1
InChIInChI=1S/C10H19NO2S/c1-3-8-13-10(12)11-6-4-9(14-2)5-7-11/h9H,3-8H2,1-2H3
InChIKeyHDSPHKGHUWNTPU-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.36
Rot. Bonds3

About propyl 4-methylsulfanylpiperidine-1-carboxylate

propyl 4-methylsulfanylpiperidine-1-carboxylate (PubChem CID 123521440) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is propyl 4-methylsulfanylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-methylsulfanylpiperidine-1-carboxylate
PubChem CID123521440
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namepropyl 4-methylsulfanylpiperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(SC)CC1
InChIInChI=1S/C10H19NO2S/c1-3-8-13-10(12)11-6-4-9(14-2)5-7-11/h9H,3-8H2,1-2H3
InChIKeyHDSPHKGHUWNTPU-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 4-methylsulfanylpiperidine-1-carboxylate?
The IUPAC name of propyl 4-methylsulfanylpiperidine-1-carboxylate (CID 123521440) is propyl 4-methylsulfanylpiperidine-1-carboxylate.
What is the SMILES notation for propyl 4-methylsulfanylpiperidine-1-carboxylate?
The canonical SMILES for propyl 4-methylsulfanylpiperidine-1-carboxylate is CCCOC(=O)N1CCC(SC)CC1.
What is the InChIKey of propyl 4-methylsulfanylpiperidine-1-carboxylate?
The InChIKey is HDSPHKGHUWNTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-8-13-10(12)11-6-4-9(14-2)5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of propyl 4-methylsulfanylpiperidine-1-carboxylate?
propyl 4-methylsulfanylpiperidine-1-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methylsulfanylpiperidine-1-carboxylate is sourced from PubChem (CID 123521440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).