dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine

C7H20N2O2S — CID 165136190

IUPACdihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine
SMILESCN.CS(O)(O)N1CCCCC1
InChIInChI=1S/C6H15NO2S.CH5N/c1-10(8,9)7-5-3-2-4-6-7;1-2/h8-9H,2-6H2,1H3;2H2,1H3
InChIKeyRYSDPIWZNQPVLG-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.34
Rot. Bonds1

About dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine

dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine (PubChem CID 165136190) has the molecular formula C7H20N2O2S and a molecular weight of 196.32 g/mol. Its IUPAC name is dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine.

Molecular Properties

Compound Namedihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine
PubChem CID165136190
Molecular FormulaC7H20N2O2S
Molecular Weight196.32 g/mol
Exact Mass196.12
IUPAC Namedihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine
SMILESCN.CS(O)(O)N1CCCCC1
InChIInChI=1S/C6H15NO2S.CH5N/c1-10(8,9)7-5-3-2-4-6-7;1-2/h8-9H,2-6H2,1H3;2H2,1H3
InChIKeyRYSDPIWZNQPVLG-UHFFFAOYSA-N
XLogP1.34
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

piperidine-1-sulfonic acid
CID 558632
1-[4-[dihydroxy(methyl)-λ4-sulfanyl]piperazin-1-yl]ethanone
CID 143959720
hydroxy-methylidene-oxo-piperidin-1-yl-λ6-sulfane
CID 91537889
pyrrolidine-1-sulfonic acid;hydrochloride
CID 174453164
methanamine;1-methylazepane
CID 142229560
cyclohexane;methanamine
CID 18619744
(4-ethylphenyl)-hydroxy-methyl-piperidin-1-yl-λ4-sulfane;propane
CID 166478329
1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
CID 115048528
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
N-methylazocane-1-sulfonamide
CID 130686123
1-methyliodanuidylsulfonylpiperidine
CID 147964763

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine?
The IUPAC name of dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine (CID 165136190) is dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine.
What is the SMILES notation for dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine?
The canonical SMILES for dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine is CN.CS(O)(O)N1CCCCC1.
What is the InChIKey of dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine?
The InChIKey is RYSDPIWZNQPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S.CH5N/c1-10(8,9)7-5-3-2-4-6-7;1-2/h8-9H,2-6H2,1H3;2H2,1H3.
What are the key properties of dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine?
dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine has a molecular weight of 196.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-piperidin-1-yl-λ4-sulfane;methanamine is sourced from PubChem (CID 165136190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).