ethane;4-methoxy-1-sulfanylpiperidine

C8H19NOS — CID 171098636

IUPACethane;4-methoxy-1-sulfanylpiperidine
SMILESCC.COC1CCN(S)CC1
InChIInChI=1S/C6H13NOS.C2H6/c1-8-6-2-4-7(9)5-3-6;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeyVGHICQBQPWPADX-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.97
Rot. Bonds1

About ethane;4-methoxy-1-sulfanylpiperidine

ethane;4-methoxy-1-sulfanylpiperidine (PubChem CID 171098636) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;4-methoxy-1-sulfanylpiperidine.

Molecular Properties

Compound Nameethane;4-methoxy-1-sulfanylpiperidine
PubChem CID171098636
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;4-methoxy-1-sulfanylpiperidine
SMILESCC.COC1CCN(S)CC1
InChIInChI=1S/C6H13NOS.C2H6/c1-8-6-2-4-7(9)5-3-6;1-2/h6,9H,2-5H2,1H3;1-2H3
InChIKeyVGHICQBQPWPADX-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.97
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

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CID 154266449
1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
4-methoxy-1-methylazepane
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(4-methoxypiperidin-1-yl)methanamine
CID 129270206
4-methoxypiperidine-1-sulfonyl chloride
CID 22276816
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
potassium;1-methanidyl-4-methoxypiperidine;trifluoroborane
CID 175536814
(3R)-1-methanidyl-3-methoxypyrrolidine
CID 58679816
1-fluoro-3-methoxypyrrolidine
CID 123891077
methoxycyclooctane
CID 551195
azane;methoxycyclopentane
CID 70270429
methoxycyclopentane;dihydrate
CID 159895201

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1-sulfanylpiperidine?
The IUPAC name of ethane;4-methoxy-1-sulfanylpiperidine (CID 171098636) is ethane;4-methoxy-1-sulfanylpiperidine.
What is the SMILES notation for ethane;4-methoxy-1-sulfanylpiperidine?
The canonical SMILES for ethane;4-methoxy-1-sulfanylpiperidine is CC.COC1CCN(S)CC1.
What is the InChIKey of ethane;4-methoxy-1-sulfanylpiperidine?
The InChIKey is VGHICQBQPWPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-8-6-2-4-7(9)5-3-6;1-2/h6,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methoxy-1-sulfanylpiperidine?
ethane;4-methoxy-1-sulfanylpiperidine has a molecular weight of 177.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1-sulfanylpiperidine is sourced from PubChem (CID 171098636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).