N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide

C11H15NO2S — CID 4650012

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C11H15NO2S/c1-15(13,14)12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3
InChIKeyPJLDJGAXDCGWIQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.61
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (PubChem CID 4650012) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
PubChem CID4650012
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCc2ccccc21
InChIInChI=1S/C11H15NO2S/c1-15(13,14)12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3
InChIKeyPJLDJGAXDCGWIQ-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide
CID 126806493
6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
CID 28561014
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide (CID 4650012) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is CS(=O)(=O)NC1CCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
The InChIKey is PJLDJGAXDCGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15(13,14)12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 4650012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).