(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine

C12H19NOS — CID 164638053

IUPAC(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine
SMILESCO[C@@]1(C)CCCN(Cc2ccsc2)C1
InChIInChI=1S/C12H19NOS/c1-12(14-2)5-3-6-13(10-12)8-11-4-7-15-9-11/h4,7,9H,3,5-6,8,10H2,1-2H3/t12-/m0/s1
InChIKeyVJTQNCUXJPZLPN-LBPRGKRZSA-N
MW225.36 g/mol
LogP2.75
Rot. Bonds3

About (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine

(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 164638053) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine
PubChem CID164638053
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine
SMILESCO[C@@]1(C)CCCN(Cc2ccsc2)C1
InChIInChI=1S/C12H19NOS/c1-12(14-2)5-3-6-13(10-12)8-11-4-7-15-9-11/h4,7,9H,3,5-6,8,10H2,1-2H3/t12-/m0/s1
InChIKeyVJTQNCUXJPZLPN-LBPRGKRZSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine (CID 164638053) is (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine is CO[C@@]1(C)CCCN(Cc2ccsc2)C1.
What is the InChIKey of (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is VJTQNCUXJPZLPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(14-2)5-3-6-13(10-12)8-11-4-7-15-9-11/h4,7,9H,3,5-6,8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine?
(3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 225.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-3-methyl-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 164638053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).