N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide

C17H19NO2S — CID 10518414

IUPACN-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide
SMILESC[C@H](CS(=O)c1ccccc1)N(C=O)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-15(13-21(20)17-10-6-3-7-11-17)18(14-19)12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3/t15-,21?/m1/s1
InChIKeyHGIVJNUEZJBIQF-RBFZIWAESA-N
MW301.41 g/mol
LogP2.84
Rot. Bonds7

About N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide

N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide (PubChem CID 10518414) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide
PubChem CID10518414
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide
SMILESC[C@H](CS(=O)c1ccccc1)N(C=O)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-15(13-21(20)17-10-6-3-7-11-17)18(14-19)12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3/t15-,21?/m1/s1
InChIKeyHGIVJNUEZJBIQF-RBFZIWAESA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[benzyl(formyl)amino]-2-oxobutanoic acid
CID 139335016
3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide
CID 139335039
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide
CID 11728197
(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
CID 124594306
CID 10894260
CID 10894260
3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide
CID 139329226
N-benzyl-N-ethenylpropan-2-amine
CID 67948019
ethylsulfinylbenzene;palladium
CID 174712422
N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
1-[(S)-2-methylpropylsulfinyl]-4-phenylbenzene
CID 139094070

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide?
The IUPAC name of N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide (CID 10518414) is N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide.
What is the SMILES notation for N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide?
The canonical SMILES for N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide is C[C@H](CS(=O)c1ccccc1)N(C=O)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide?
The InChIKey is HGIVJNUEZJBIQF-RBFZIWAESA-N. The full InChI is InChI=1S/C17H19NO2S/c1-15(13-21(20)17-10-6-3-7-11-17)18(14-19)12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3/t15-,21?/m1/s1.
What are the key properties of N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide?
N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide has a molecular weight of 301.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide is sourced from PubChem (CID 10518414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).