3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide

C16H25NO3S — CID 65012895

IUPAC3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COC1CCCc2ccccc21)CS(N)(=O)=O
InChIInChI=1S/C16H25NO3S/c1-12(2)14(11-21(17,18)19)10-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3,(H2,17,18,19)
InChIKeyJSMHRZLZEFYNLS-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.64
Rot. Bonds6

About 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide

3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide (PubChem CID 65012895) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
PubChem CID65012895
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
SMILESCC(C)C(COC1CCCc2ccccc21)CS(N)(=O)=O
InChIInChI=1S/C16H25NO3S/c1-12(2)14(11-21(17,18)19)10-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3,(H2,17,18,19)
InChIKeyJSMHRZLZEFYNLS-UHFFFAOYSA-N
XLogP2.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
CID 65013134
1-[2-(bromomethyl)-3-methylbutoxy]-1,2,3,4-tetrahydronaphthalene
CID 65012285
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
CID 64994914
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
CID 62042774
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide (CID 65012895) is 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide is CC(C)C(COC1CCCc2ccccc21)CS(N)(=O)=O.
What is the InChIKey of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide?
The InChIKey is JSMHRZLZEFYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(2)14(11-21(17,18)19)10-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide?
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 65012895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).