N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide

C14H15FN2OS — CID 7284414

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESC[C@](C#N)(NC(=O)CSc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H15FN2OS/c1-14(9-16,10-2-3-10)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyNYVJWUJVAOJBRH-CQSZACIVSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds5

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 7284414) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID7284414
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESC[C@](C#N)(NC(=O)CSc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H15FN2OS/c1-14(9-16,10-2-3-10)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyNYVJWUJVAOJBRH-CQSZACIVSA-N
XLogP2.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 7284414) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide is C[C@](C#N)(NC(=O)CSc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is NYVJWUJVAOJBRH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-14(9-16,10-2-3-10)17-13(18)8-19-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 278.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7284414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).