N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide

C16H22N2OS — CID 114626426

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2OS/c19-16(11-20-15-6-8-17-9-7-15)18-14-5-4-12-2-1-3-13(12)10-14/h4-5,10,15,17H,1-3,6-9,11H2,(H,18,19)
InChIKeyZMTNXRFYWNIHPT-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.60
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626426) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626426
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2OS/c19-16(11-20-15-6-8-17-9-7-15)18-14-5-4-12-2-1-3-13(12)10-14/h4-5,10,15,17H,1-3,6-9,11H2,(H,18,19)
InChIKeyZMTNXRFYWNIHPT-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626838
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627698
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107805145
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315
N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626884
N-[3-(methoxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626703
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114626426) is N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is ZMTNXRFYWNIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16(11-20-15-6-8-17-9-7-15)18-14-5-4-12-2-1-3-13(12)10-14/h4-5,10,15,17H,1-3,6-9,11H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 290.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).