3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide

C7H16N2O2S — CID 145367552

IUPAC3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide
SMILESCNS(=O)N1CCCC(CO)C1
InChIInChI=1S/C7H16N2O2S/c1-8-12(11)9-4-2-3-7(5-9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyGHWWBWNYFOEQEI-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.51
Rot. Bonds3

About 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide

3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide (PubChem CID 145367552) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide
PubChem CID145367552
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide
SMILESCNS(=O)N1CCCC(CO)C1
InChIInChI=1S/C7H16N2O2S/c1-8-12(11)9-4-2-3-7(5-9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyGHWWBWNYFOEQEI-UHFFFAOYSA-N
XLogP-0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[3-(hydroxymethyl)piperidin-1-yl]-λ2-stannane
CID 174736400
CID 172570725
CID 172570725
(1-chloropiperidin-3-yl)methanol
CID 123689444
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide?
The IUPAC name of 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide (CID 145367552) is 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide is CNS(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide?
The InChIKey is GHWWBWNYFOEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-8-12(11)9-4-2-3-7(5-9)6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide?
3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide has a molecular weight of 192.28 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methylpiperidine-1-sulfinamide is sourced from PubChem (CID 145367552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).