2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide

C13H19NO3S — CID 95733764

IUPAC2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C13H19NO3S/c1-17-9-10-18(15,16)14-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-10H2,1H3/t13-/m0/s1
InChIKeyPXMAAAGDSCOMEQ-ZDUSSCGKSA-N
MW269.37 g/mol
LogP1.63
Rot. Bonds5

About 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide

2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide (PubChem CID 95733764) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
PubChem CID95733764
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C13H19NO3S/c1-17-9-10-18(15,16)14-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-10H2,1H3/t13-/m0/s1
InChIKeyPXMAAAGDSCOMEQ-ZDUSSCGKSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide
CID 95762243
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
methyl 1-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylmethyl)cyclopropane-1-carboxylate
CID 126823488
1-(4-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43885248
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
1-(2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94013011
1-(3-chlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 43906029

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide (CID 95733764) is 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide is COCCS(=O)(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The InChIKey is PXMAAAGDSCOMEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-9-10-18(15,16)14-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13-14H,4,6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide?
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide is sourced from PubChem (CID 95733764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).