2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine

C12H17NO3S — CID 116853389

IUPAC2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H17NO3S/c1-13-6-8-17(14,15)11-4-5-12-10(9-11)3-2-7-16-12/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyKTZWSWVOYHLNCM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine

2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine (PubChem CID 116853389) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
PubChem CID116853389
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H17NO3S/c1-13-6-8-17(14,15)11-4-5-12-10(9-11)3-2-7-16-12/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyKTZWSWVOYHLNCM-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-ylsulfonyl)propan-1-amine
CID 116853275
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropan-1-amine
CID 64644872
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
CID 110819027
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine (CID 116853389) is 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine is CNCCS(=O)(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine?
The InChIKey is KTZWSWVOYHLNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-13-6-8-17(14,15)11-4-5-12-10(9-11)3-2-7-16-12/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine?
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine has a molecular weight of 255.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine is sourced from PubChem (CID 116853389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).