1-methyl-4-propylsulfanylpiperidine

C9H19NS — CID 18723000

IUPAC1-methyl-4-propylsulfanylpiperidine
SMILESCCCSC1CCN(C)CC1
InChIInChI=1S/C9H19NS/c1-3-8-11-9-4-6-10(2)7-5-9/h9H,3-8H2,1-2H3
InChIKeySRGIABLJDRYOMI-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds3

About 1-methyl-4-propylsulfanylpiperidine

1-methyl-4-propylsulfanylpiperidine (PubChem CID 18723000) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-methyl-4-propylsulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-4-propylsulfanylpiperidine
PubChem CID18723000
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-methyl-4-propylsulfanylpiperidine
SMILESCCCSC1CCN(C)CC1
InChIInChI=1S/C9H19NS/c1-3-8-11-9-4-6-10(2)7-5-9/h9H,3-8H2,1-2H3
InChIKeySRGIABLJDRYOMI-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylsulfanylpiperidine?
The IUPAC name of 1-methyl-4-propylsulfanylpiperidine (CID 18723000) is 1-methyl-4-propylsulfanylpiperidine.
What is the SMILES notation for 1-methyl-4-propylsulfanylpiperidine?
The canonical SMILES for 1-methyl-4-propylsulfanylpiperidine is CCCSC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propylsulfanylpiperidine?
The InChIKey is SRGIABLJDRYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-8-11-9-4-6-10(2)7-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-propylsulfanylpiperidine?
1-methyl-4-propylsulfanylpiperidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylsulfanylpiperidine is sourced from PubChem (CID 18723000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).