N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide

C17H24N2OS — CID 23723347

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H24N2OS/c1-21-12-17(20)18-15-7-4-8-19(11-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,18,20)
InChIKeyRMSFMPFJQGCBQM-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide (PubChem CID 23723347) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide
PubChem CID23723347
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H24N2OS/c1-21-12-17(20)18-15-7-4-8-19(11-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,18,20)
InChIKeyRMSFMPFJQGCBQM-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide (CID 23723347) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)NC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is RMSFMPFJQGCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-21-12-17(20)18-15-7-4-8-19(11-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,18,20).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 304.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 23723347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).