2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NOS — CID 115420305

IUPAC2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)S(=O)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C15H23NOS/c1-4-11(3)18(17)14-9-10(2)12-7-5-6-8-13(12)15(14)16/h5-8,10-11,14-15H,4,9,16H2,1-3H3
InChIKeyUPYIDQVDHTVAPF-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.11
Rot. Bonds3

About 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420305) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420305
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)S(=O)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C15H23NOS/c1-4-11(3)18(17)14-9-10(2)12-7-5-6-8-13(12)15(14)16/h5-8,10-11,14-15H,4,9,16H2,1-3H3
InChIKeyUPYIDQVDHTVAPF-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420303
2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420348
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420335
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 115420649
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418965
4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420529
2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420341
2-butylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420327
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420305) is 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)S(=O)C1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UPYIDQVDHTVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-11(3)18(17)14-9-10(2)12-7-5-6-8-13(12)15(14)16/h5-8,10-11,14-15H,4,9,16H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).