(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide

C14H21NO2S — CID 95329730

IUPAC(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO2S/c1-4-8-15-14(16)12(3)18(17)10-13-7-5-6-11(2)9-13/h5-7,9,12H,4,8,10H2,1-3H3,(H,15,16)/t12-,18-/m1/s1
InChIKeyYCDZZLVXTPJZIP-KZULUSFZSA-N
MW267.39 g/mol
LogP2.16
Rot. Bonds6

About (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide

(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide (PubChem CID 95329730) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide
PubChem CID95329730
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO2S/c1-4-8-15-14(16)12(3)18(17)10-13-7-5-6-11(2)9-13/h5-7,9,12H,4,8,10H2,1-3H3,(H,15,16)/t12-,18-/m1/s1
InChIKeyYCDZZLVXTPJZIP-KZULUSFZSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
(2R)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95329028
(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330378
N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
CID 96548308
(2S)-N-tert-butyl-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95278864
3-[(3-methylphenyl)methylsulfinyl]butan-2-one
CID 64637393
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
2-[(3-methylphenyl)methylsulfinyl]-1-phenylpropan-1-one
CID 64635692
2-[(3-methylphenyl)methylsulfinyl]butanoic acid
CID 62766231
2-methyl-3-[(3-methylphenyl)methylsulfinyl]butanoic acid
CID 79414784
ethyl 3-[(3-methylphenyl)methylsulfinyl]butanoate
CID 62766410
2-[(3-methylphenyl)methylsulfinyl]hexanoic acid
CID 113373680

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide (CID 95329730) is (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide is CCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C)c1.
What is the InChIKey of (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide?
The InChIKey is YCDZZLVXTPJZIP-KZULUSFZSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-8-15-14(16)12(3)18(17)10-13-7-5-6-11(2)9-13/h5-7,9,12H,4,8,10H2,1-3H3,(H,15,16)/t12-,18-/m1/s1.
What are the key properties of (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide?
(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide is sourced from PubChem (CID 95329730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).