2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol

C9H19NOS — CID 107396245

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
SMILESCOC1(C)CCCN(CCS)C1
InChIInChI=1S/C9H19NOS/c1-9(11-2)4-3-5-10(8-9)6-7-12/h12H,3-8H2,1-2H3
InChIKeySIIHLVQFOPCCDQ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.42
Rot. Bonds3

About 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol

2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol (PubChem CID 107396245) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
PubChem CID107396245
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
SMILESCOC1(C)CCCN(CCS)C1
InChIInChI=1S/C9H19NOS/c1-9(11-2)4-3-5-10(8-9)6-7-12/h12H,3-8H2,1-2H3
InChIKeySIIHLVQFOPCCDQ-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107393244
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol (CID 107396245) is 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol is COC1(C)CCCN(CCS)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol?
The InChIKey is SIIHLVQFOPCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(11-2)4-3-5-10(8-9)6-7-12/h12H,3-8H2,1-2H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol?
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol has a molecular weight of 189.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol is sourced from PubChem (CID 107396245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).