1-(3-methylsulfanylpropyl)piperidine

C9H19NS — CID 118475012

IUPAC1-(3-methylsulfanylpropyl)piperidine
SMILESCSCCCN1CCCCC1
InChIInChI=1S/C9H19NS/c1-11-9-5-8-10-6-3-2-4-7-10/h2-9H2,1H3
InChIKeyMNKCMYFWLXDHHJ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)piperidine

1-(3-methylsulfanylpropyl)piperidine (PubChem CID 118475012) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)piperidine.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)piperidine
PubChem CID118475012
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(3-methylsulfanylpropyl)piperidine
SMILESCSCCCN1CCCCC1
InChIInChI=1S/C9H19NS/c1-11-9-5-8-10-6-3-2-4-7-10/h2-9H2,1H3
InChIKeyMNKCMYFWLXDHHJ-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Piperidin-1-ylethyl thiocyanate
CID 44386017
Butylthiopiperidine
CID 305987
2-piperidin-1-ylethyl N,N-diethylcarbamodithioate
CID 12233052
4-Hexylthiomorpholine
CID 11424017
(r,s)-1-Methyl-3-methylsulfanyl-piperidine
CID 15063099
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
1-Methyl-4-(4-(methylsulfanyl)butyl)piperazine
CID 145867183
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
1-[(Propan-2-yl)sulfanyl]piperidine
CID 12350762
1-(Thiiran-2-ylmethyl)piperidine
CID 15453882
Propyl piperidine-1-carbodithioate
CID 15668007
1-Methyl-4-(methylthio)piperidin
CID 54107306

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)piperidine?
The IUPAC name of 1-(3-methylsulfanylpropyl)piperidine (CID 118475012) is 1-(3-methylsulfanylpropyl)piperidine.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)piperidine?
The canonical SMILES for 1-(3-methylsulfanylpropyl)piperidine is CSCCCN1CCCCC1.
What is the InChIKey of 1-(3-methylsulfanylpropyl)piperidine?
The InChIKey is MNKCMYFWLXDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-11-9-5-8-10-6-3-2-4-7-10/h2-9H2,1H3.
What are the key properties of 1-(3-methylsulfanylpropyl)piperidine?
1-(3-methylsulfanylpropyl)piperidine has a molecular weight of 173.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)piperidine is sourced from PubChem (CID 118475012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).