1-methyl-3-propan-2-ylsulfanylpiperidine

C9H19NS — CID 15063103

IUPAC1-methyl-3-propan-2-ylsulfanylpiperidine
SMILESCC(C)SC1CCCN(C)C1
InChIInChI=1S/C9H19NS/c1-8(2)11-9-5-4-6-10(3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyDGRNUBMTHWXVDP-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds2

About 1-methyl-3-propan-2-ylsulfanylpiperidine

1-methyl-3-propan-2-ylsulfanylpiperidine (PubChem CID 15063103) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylsulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylsulfanylpiperidine
PubChem CID15063103
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-methyl-3-propan-2-ylsulfanylpiperidine
SMILESCC(C)SC1CCCN(C)C1
InChIInChI=1S/C9H19NS/c1-8(2)11-9-5-4-6-10(3)7-9/h8-9H,4-7H2,1-3H3
InChIKeyDGRNUBMTHWXVDP-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-3-propan-2-ylsulfanylpiperidine?
The IUPAC name of 1-methyl-3-propan-2-ylsulfanylpiperidine (CID 15063103) is 1-methyl-3-propan-2-ylsulfanylpiperidine.
What is the SMILES notation for 1-methyl-3-propan-2-ylsulfanylpiperidine?
The canonical SMILES for 1-methyl-3-propan-2-ylsulfanylpiperidine is CC(C)SC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-ylsulfanylpiperidine?
The InChIKey is DGRNUBMTHWXVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)11-9-5-4-6-10(3)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylsulfanylpiperidine?
1-methyl-3-propan-2-ylsulfanylpiperidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylsulfanylpiperidine is sourced from PubChem (CID 15063103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).