(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide

C14H15NOS — CID 94192877

IUPAC(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
SMILESC[C@H](SCc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C14H15NOS/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H2,15,16)/t10-/m0/s1
InChIKeyZEYSUOGPWAZIQP-JTQLQIEISA-N
MW245.35 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide

(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide (PubChem CID 94192877) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
PubChem CID94192877
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
SMILESC[C@H](SCc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C14H15NOS/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H2,15,16)/t10-/m0/s1
InChIKeyZEYSUOGPWAZIQP-JTQLQIEISA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide?
The IUPAC name of (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide (CID 94192877) is (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide?
The canonical SMILES for (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide is C[C@H](SCc1cccc2ccccc12)C(N)=O.
What is the InChIKey of (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide?
The InChIKey is ZEYSUOGPWAZIQP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NOS/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H2,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide?
(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide has a molecular weight of 245.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 94192877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).