[(3R)-1-methylpiperidin-3-yl]sulfanyl acetate

C8H15NO2S — CID 151568256

IUPAC[(3R)-1-methylpiperidin-3-yl]sulfanyl acetate
SMILESCC(=O)OS[C@@H]1CCCN(C)C1
InChIInChI=1S/C8H15NO2S/c1-7(10)11-12-8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQDWOHKGRBYZXIS-MRVPVSSYSA-N
MW189.28 g/mol
LogP1.29
Rot. Bonds2

About [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate

[(3R)-1-methylpiperidin-3-yl]sulfanyl acetate (PubChem CID 151568256) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate.

Molecular Properties

Compound Name[(3R)-1-methylpiperidin-3-yl]sulfanyl acetate
PubChem CID151568256
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name[(3R)-1-methylpiperidin-3-yl]sulfanyl acetate
SMILESCC(=O)OS[C@@H]1CCCN(C)C1
InChIInChI=1S/C8H15NO2S/c1-7(10)11-12-8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQDWOHKGRBYZXIS-MRVPVSSYSA-N
XLogP1.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-(1-methylpiperidin-3-yl) ethanethioate
CID 102537393
2-(1-methylpiperidin-3-yl)sulfanylacetic acid
CID 116853663
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
3-iodo-1-methylpiperidine
CID 66569181

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate?
The IUPAC name of [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate (CID 151568256) is [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate.
What is the SMILES notation for [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate?
The canonical SMILES for [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate is CC(=O)OS[C@@H]1CCCN(C)C1.
What is the InChIKey of [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate?
The InChIKey is QDWOHKGRBYZXIS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(10)11-12-8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate?
[(3R)-1-methylpiperidin-3-yl]sulfanyl acetate has a molecular weight of 189.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpiperidin-3-yl]sulfanyl acetate is sourced from PubChem (CID 151568256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).