(2S)-N,N-diethyl-2-phenylsulfanylpropanamide

C13H19NOS — CID 39073889

IUPAC(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
SMILESCCN(CC)C(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-14(5-2)13(15)11(3)16-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyHKZKEJAJVBZHDD-NSHDSACASA-N
MW237.37 g/mol
LogP3.04
Rot. Bonds5

About (2S)-N,N-diethyl-2-phenylsulfanylpropanamide

(2S)-N,N-diethyl-2-phenylsulfanylpropanamide (PubChem CID 39073889) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
PubChem CID39073889
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
SMILESCCN(CC)C(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-14(5-2)13(15)11(3)16-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyHKZKEJAJVBZHDD-NSHDSACASA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
CID 3933523
N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide
CID 115945257
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78897361
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2S)-2-phenylsulfanylpropanoate
CID 7127744
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
CID 134930455
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112
6-[1-(diethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 61304773

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N,N-diethyl-2-phenylsulfanylpropanamide (CID 39073889) is (2S)-N,N-diethyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N,N-diethyl-2-phenylsulfanylpropanamide is CCN(CC)C(=O)[C@H](C)Sc1ccccc1.
What is the InChIKey of (2S)-N,N-diethyl-2-phenylsulfanylpropanamide?
The InChIKey is HKZKEJAJVBZHDD-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-14(5-2)13(15)11(3)16-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-phenylsulfanylpropanamide?
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide has a molecular weight of 237.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 39073889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).