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

C17H27NOS — CID 115420303

IUPAC2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1S(=O)C(C)CC
InChIInChI=1S/C17H27NOS/c1-5-13(4)20(19)16-11-12(3)14-9-7-8-10-15(14)17(16)18-6-2/h7-10,12-13,16-18H,5-6,11H2,1-4H3
InChIKeyKGIZZBHMDKZLBK-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.76
Rot. Bonds5

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

2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420303) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420303
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1S(=O)C(C)CC
InChIInChI=1S/C17H27NOS/c1-5-13(4)20(19)16-11-12(3)14-9-7-8-10-15(14)17(16)18-6-2/h7-10,12-13,16-18H,5-6,11H2,1-4H3
InChIKeyKGIZZBHMDKZLBK-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420303) is 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2C(C)CC1S(=O)C(C)CC.
What is the InChIKey of 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KGIZZBHMDKZLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-13(4)20(19)16-11-12(3)14-9-7-8-10-15(14)17(16)18-6-2/h7-10,12-13,16-18H,5-6,11H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).