N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide

C12H17NO4S — CID 93072784

IUPACN-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1COc2c(cccc2OC)C1
InChIInChI=1S/C12H17NO4S/c1-3-18(14,15)13-10-7-9-5-4-6-11(16-2)12(9)17-8-10/h4-6,10,13H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFLXZEXZCXVRUQG-JTQLQIEISA-N
MW271.34 g/mol
LogP0.94
Rot. Bonds4

About N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide

N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide (PubChem CID 93072784) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
PubChem CID93072784
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1COc2c(cccc2OC)C1
InChIInChI=1S/C12H17NO4S/c1-3-18(14,15)13-10-7-9-5-4-6-11(16-2)12(9)17-8-10/h4-6,10,13H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyFLXZEXZCXVRUQG-JTQLQIEISA-N
XLogP0.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 93045417
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-1-phenylmethanesulfonamide
CID 95117122
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209985
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butane-1-sulfonamide
CID 97206863
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide?
The IUPAC name of N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide (CID 93072784) is N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1COc2c(cccc2OC)C1.
What is the InChIKey of N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide?
The InChIKey is FLXZEXZCXVRUQG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-18(14,15)13-10-7-9-5-4-6-11(16-2)12(9)17-8-10/h4-6,10,13H,3,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide?
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide is sourced from PubChem (CID 93072784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).