N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide

C12H16N2O4S — CID 129368199

IUPACN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C12H16N2O4S/c1-19(16,17)13-7-12(15)14-10-6-9-4-2-3-5-11(9)18-8-10/h2-5,10,13H,6-8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyBLEIJFKEWRRGTK-SNVBAGLBSA-N
MW284.34 g/mol
LogP-0.34
Rot. Bonds4

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

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide (PubChem CID 129368199) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
PubChem CID129368199
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C12H16N2O4S/c1-19(16,17)13-7-12(15)14-10-6-9-4-2-3-5-11(9)18-8-10/h2-5,10,13H,6-8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyBLEIJFKEWRRGTK-SNVBAGLBSA-N
XLogP-0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
CID 94466747
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 94466660
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide (CID 129368199) is N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)N[C@H]1COc2ccccc2C1.
What is the InChIKey of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is BLEIJFKEWRRGTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-19(16,17)13-7-12(15)14-10-6-9-4-2-3-5-11(9)18-8-10/h2-5,10,13H,6-8H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide?
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 284.34 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 129368199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).