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

C10H13NO3S — CID 94197081

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1
InChIKeyGLQMCOZZWSNYPN-SECBINFHSA-N
MW227.28 g/mol
LogP1.06
Rot. Bonds2

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

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide (PubChem CID 94197081) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
PubChem CID94197081
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1
InChIKeyGLQMCOZZWSNYPN-SECBINFHSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide (CID 94197081) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
The InChIKey is GLQMCOZZWSNYPN-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide is sourced from PubChem (CID 94197081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).