N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide

C10H20N2O2S — CID 114626594

IUPACN-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC(CO)NC(=O)CSC1CCNCC1
InChIInChI=1S/C10H20N2O2S/c1-8(6-13)12-10(14)7-15-9-2-4-11-5-3-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyCEVJZLIQCIXXNK-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.03
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide

N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626594) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626594
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC(CO)NC(=O)CSC1CCNCC1
InChIInChI=1S/C10H20N2O2S/c1-8(6-13)12-10(14)7-15-9-2-4-11-5-3-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyCEVJZLIQCIXXNK-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957
N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
CID 114628059
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
methyl (2S)-3-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoate
CID 104940371
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-[(2R)-1-hydroxypropan-2-yl]-2-pyrrolidin-3-ylacetamide
CID 107218668
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627675
methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
CID 114626748

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114626594) is N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide is CC(CO)NC(=O)CSC1CCNCC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is CEVJZLIQCIXXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(6-13)12-10(14)7-15-9-2-4-11-5-3-9/h8-9,11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 232.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).