(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide

C13H17NO4S — CID 94025535

IUPAC(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C13H17NO4S/c1-9(19(2,16)17)13(15)14-11-7-8-18-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)/t9-,11+/m0/s1
InChIKeyGWTJFDCSQRHRBB-GXSJLCMTSA-N
MW283.35 g/mol
LogP1.06
Rot. Bonds3

About (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide

(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide (PubChem CID 94025535) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
PubChem CID94025535
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C13H17NO4S/c1-9(19(2,16)17)13(15)14-11-7-8-18-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)/t9-,11+/m0/s1
InChIKeyGWTJFDCSQRHRBB-GXSJLCMTSA-N
XLogP1.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035218
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide (CID 94025535) is (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide is C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)S(C)(=O)=O.
What is the InChIKey of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide?
The InChIKey is GWTJFDCSQRHRBB-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(19(2,16)17)13(15)14-11-7-8-18-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)/t9-,11+/m0/s1.
What are the key properties of (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide?
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide has a molecular weight of 283.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 94025535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).