3-phenyl-1-propylsulfanylpiperidine

C14H21NS — CID 130223294

IUPAC3-phenyl-1-propylsulfanylpiperidine
SMILESCCCSN1CCCC(c2ccccc2)C1
InChIInChI=1S/C14H21NS/c1-2-11-16-15-10-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyFVYQNOCYOGZRLQ-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.92
Rot. Bonds4

About 3-phenyl-1-propylsulfanylpiperidine

3-phenyl-1-propylsulfanylpiperidine (PubChem CID 130223294) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-phenyl-1-propylsulfanylpiperidine.

Molecular Properties

Compound Name3-phenyl-1-propylsulfanylpiperidine
PubChem CID130223294
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-phenyl-1-propylsulfanylpiperidine
SMILESCCCSN1CCCC(c2ccccc2)C1
InChIInChI=1S/C14H21NS/c1-2-11-16-15-10-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyFVYQNOCYOGZRLQ-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-propylpiperidine
CID 12937946
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
ethyl 2-oxo-2-(3-phenylazepan-1-yl)acetate
CID 90608416
N-pentan-3-yl-3-phenylazepane-1-carboxamide
CID 121146230
3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine
CID 146573247
N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
1-methyl-7-phenylazocan-2-one
CID 165415866
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
cyclobutylbenzene;triethoxysilane
CID 174943415
4-phenyl-2-propylazepane-1-carbaldehyde
CID 87562749

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propylsulfanylpiperidine?
The IUPAC name of 3-phenyl-1-propylsulfanylpiperidine (CID 130223294) is 3-phenyl-1-propylsulfanylpiperidine.
What is the SMILES notation for 3-phenyl-1-propylsulfanylpiperidine?
The canonical SMILES for 3-phenyl-1-propylsulfanylpiperidine is CCCSN1CCCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-propylsulfanylpiperidine?
The InChIKey is FVYQNOCYOGZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-11-16-15-10-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of 3-phenyl-1-propylsulfanylpiperidine?
3-phenyl-1-propylsulfanylpiperidine has a molecular weight of 235.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propylsulfanylpiperidine is sourced from PubChem (CID 130223294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).