2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide

C8H16N2O2S — CID 130495510

IUPAC2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide
SMILESCC1(O)CCNCC1SCC(N)=O
InChIInChI=1S/C8H16N2O2S/c1-8(12)2-3-10-4-6(8)13-5-7(9)11/h6,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyDTBOASDXBYISAG-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.68
Rot. Bonds3

About 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide

2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide (PubChem CID 130495510) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide
PubChem CID130495510
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide
SMILESCC1(O)CCNCC1SCC(N)=O
InChIInChI=1S/C8H16N2O2S/c1-8(12)2-3-10-4-6(8)13-5-7(9)11/h6,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyDTBOASDXBYISAG-UHFFFAOYSA-N
XLogP-0.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114249946
3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
CID 130495487
(3R,4S)-4-methylpiperidine-3,4-diol
CID 55285415
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
4-methyl-3-(morpholin-4-ylmethyl)piperidin-4-ol
CID 105467939
3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
CID 130746790
4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
CID 130526877
(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
4-methyl-3-(2-methylpropoxy)piperidin-4-ol
CID 130495455
N-ethyl-2-[ethyl-(4-hydroxy-4-methylpiperidin-3-yl)amino]acetamide
CID 114249721
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
CID 130747775

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide (CID 130495510) is 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide is CC1(O)CCNCC1SCC(N)=O.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide?
The InChIKey is DTBOASDXBYISAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8(12)2-3-10-4-6(8)13-5-7(9)11/h6,10,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide?
2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide has a molecular weight of 204.29 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide is sourced from PubChem (CID 130495510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).