N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide

C10H20N2O3S — CID 114627744

IUPACN-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCC(O)CO
InChIInChI=1S/C10H20N2O3S/c13-6-8(14)5-12-10(15)7-16-9-1-3-11-4-2-9/h8-9,11,13-14H,1-7H2,(H,12,15)
InChIKeyAPRRWNCXXIPOHV-UHFFFAOYSA-N
MW248.35 g/mol
LogP-1.06
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide

N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627744) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627744
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCC(O)CO
InChIInChI=1S/C10H20N2O3S/c13-6-8(14)5-12-10(15)7-16-9-1-3-11-4-2-9/h8-9,11,13-14H,1-7H2,(H,12,15)
InChIKeyAPRRWNCXXIPOHV-UHFFFAOYSA-N
XLogP-1.06
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627251
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
2-(azetidin-3-yl)-N-(2,3-dihydroxypropyl)acetamide
CID 66169543
N-(2,3-dihydroxypropyl)-2-piperidin-3-ylacetamide
CID 66170381
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
CID 106255078

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627744) is N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is APRRWNCXXIPOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-6-8(14)5-12-10(15)7-16-9-1-3-11-4-2-9/h8-9,11,13-14H,1-7H2,(H,12,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide?
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 248.35 g/mol, XLogP of -1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).