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

C16H23ClO3S — CID 65013134

IUPAC3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
SMILESCC(C)C(COC1CCCc2ccccc21)CS(=O)(=O)Cl
InChIInChI=1S/C16H23ClO3S/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
InChIKeyQSKXCIQHROSZSZ-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.92
Rot. Bonds6

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

3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride (PubChem CID 65013134) has the molecular formula C16H23ClO3S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
PubChem CID65013134
Molecular FormulaC16H23ClO3S
Molecular Weight330.88 g/mol
Exact Mass330.11
IUPAC Name3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
SMILESCC(C)C(COC1CCCc2ccccc21)CS(=O)(=O)Cl
InChIInChI=1S/C16H23ClO3S/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
InChIKeyQSKXCIQHROSZSZ-UHFFFAOYSA-N
XLogP3.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
CID 65012895
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
1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
CID 64994914
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
CID 62042774
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
2-[[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 110882190
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride?
The IUPAC name of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride (CID 65013134) is 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride is CC(C)C(COC1CCCc2ccccc21)CS(=O)(=O)Cl.
What is the InChIKey of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride?
The InChIKey is QSKXCIQHROSZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3S/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.
What are the key properties of 3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride?
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride has a molecular weight of 330.88 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 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-sulfonyl chloride is sourced from PubChem (CID 65013134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).