(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione

C7H13NO2S — CID 10329827

IUPAC(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione
SMILESCOC1CC(=S)N[C@H](CO)C1
InChIInChI=1S/C7H13NO2S/c1-10-6-2-5(4-9)8-7(11)3-6/h5-6,9H,2-4H2,1H3,(H,8,11)/t5-,6?/m0/s1
InChIKeyUPAVLYNVMXTFFR-ZBHICJROSA-N
MW175.25 g/mol
LogP0.07
Rot. Bonds2

About (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione

(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione (PubChem CID 10329827) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione.

Molecular Properties

Compound Name(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione
PubChem CID10329827
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione
SMILESCOC1CC(=S)N[C@H](CO)C1
InChIInChI=1S/C7H13NO2S/c1-10-6-2-5(4-9)8-7(11)3-6/h5-6,9H,2-4H2,1H3,(H,8,11)/t5-,6?/m0/s1
InChIKeyUPAVLYNVMXTFFR-ZBHICJROSA-N
XLogP0.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
ethane;(5-methoxypiperidin-2-yl)methanol
CID 156651276
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
ethane-1,2-diol;methoxycyclopropane
CID 174681664
(3R,5S)-3-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 51401118
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
(5-methoxypiperidin-3-yl)methanol
CID 166104648
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
(5-methoxyoxan-2-yl)methanol
CID 54040462
1-(chloromethyl)-3-methoxycyclobutane
CID 106824609
(1S,2S,3S,6S,10S,13S,15S,18S)-13-(hydroxymethyl)-3,18-dimethoxy-10-methyl-9,12-diazatricyclo[13.3.1.12,6]icosane-8,11-dione
CID 141313847
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione?
The IUPAC name of (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione (CID 10329827) is (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione.
What is the SMILES notation for (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione?
The canonical SMILES for (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione is COC1CC(=S)N[C@H](CO)C1.
What is the InChIKey of (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione?
The InChIKey is UPAVLYNVMXTFFR-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-10-6-2-5(4-9)8-7(11)3-6/h5-6,9H,2-4H2,1H3,(H,8,11)/t5-,6?/m0/s1.
What are the key properties of (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione?
(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione has a molecular weight of 175.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione is sourced from PubChem (CID 10329827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).