N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

C15H21FN2OS — CID 104940416

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSC1CCNCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2OS/c1-11(12-3-2-4-13(16)9-12)18-15(19)10-20-14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyVYJNLIZDOKFCCF-NSHDSACASA-N
MW296.41 g/mol
LogP2.49
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 104940416) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID104940416
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSC1CCNCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2OS/c1-11(12-3-2-4-13(16)9-12)18-15(19)10-20-14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyVYJNLIZDOKFCCF-NSHDSACASA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626722
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81353473
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81353088
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81365829
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 104940416) is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is C[C@H](NC(=O)CSC1CCNCC1)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is VYJNLIZDOKFCCF-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-11(12-3-2-4-13(16)9-12)18-15(19)10-20-14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 296.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 104940416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).