(3S)-3-methoxypiperidine;sulfane;hydrochloride

C6H16ClNOS — CID 157461038

IUPAC(3S)-3-methoxypiperidine;sulfane;hydrochloride
SMILESCO[C@H]1CCCNC1.Cl.S
InChIInChI=1S/C6H13NO.ClH.H2S/c1-8-6-3-2-4-7-5-6;;/h6-7H,2-5H2,1H3;1H;1H2/t6-;;/m0../s1
InChIKeyOZIFNYGQOGUMNV-ILKKLZGPSA-N
MW185.72 g/mol
LogP0.92
Rot. Bonds1

About (3S)-3-methoxypiperidine;sulfane;hydrochloride

(3S)-3-methoxypiperidine;sulfane;hydrochloride (PubChem CID 157461038) has the molecular formula C6H16ClNOS and a molecular weight of 185.72 g/mol. Its IUPAC name is (3S)-3-methoxypiperidine;sulfane;hydrochloride.

Molecular Properties

Compound Name(3S)-3-methoxypiperidine;sulfane;hydrochloride
PubChem CID157461038
Molecular FormulaC6H16ClNOS
Molecular Weight185.72 g/mol
Exact Mass185.06
IUPAC Name(3S)-3-methoxypiperidine;sulfane;hydrochloride
SMILESCO[C@H]1CCCNC1.Cl.S
InChIInChI=1S/C6H13NO.ClH.H2S/c1-8-6-3-2-4-7-5-6;;/h6-7H,2-5H2,1H3;1H;1H2/t6-;;/m0../s1
InChIKeyOZIFNYGQOGUMNV-ILKKLZGPSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.72
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxypiperidine;hydrochloride
CID 23142000
azetidine;3-methoxypyrrolidine
CID 143553472
(3R)-3-methoxypyrrolidine;hydrate
CID 164870177
ethene;(3S)-3-methoxypyrrolidine
CID 145336336
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine
CID 93493219
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
3-[(4-methoxycyclohexyl)methyl]piperidine
CID 84734618
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
(3S)-3-(2-methylprop-2-enoxy)piperidine
CID 66247581
piperidin-3-yl methanesulfonate
CID 121321387

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxypiperidine;sulfane;hydrochloride?
The IUPAC name of (3S)-3-methoxypiperidine;sulfane;hydrochloride (CID 157461038) is (3S)-3-methoxypiperidine;sulfane;hydrochloride.
What is the SMILES notation for (3S)-3-methoxypiperidine;sulfane;hydrochloride?
The canonical SMILES for (3S)-3-methoxypiperidine;sulfane;hydrochloride is CO[C@H]1CCCNC1.Cl.S.
What is the InChIKey of (3S)-3-methoxypiperidine;sulfane;hydrochloride?
The InChIKey is OZIFNYGQOGUMNV-ILKKLZGPSA-N. The full InChI is InChI=1S/C6H13NO.ClH.H2S/c1-8-6-3-2-4-7-5-6;;/h6-7H,2-5H2,1H3;1H;1H2/t6-;;/m0../s1.
What are the key properties of (3S)-3-methoxypiperidine;sulfane;hydrochloride?
(3S)-3-methoxypiperidine;sulfane;hydrochloride has a molecular weight of 185.72 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxypiperidine;sulfane;hydrochloride is sourced from PubChem (CID 157461038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).