N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NOS — CID 115420335

IUPACN,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1S(=O)C(C)C
InChIInChI=1S/C15H23NOS/c1-10(2)18(17)14-9-11(3)12-7-5-6-8-13(12)15(14)16-4/h5-8,10-11,14-16H,9H2,1-4H3
InChIKeyHXXYNBZLOWUNLE-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.98
Rot. Bonds3

About N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420335) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420335
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1S(=O)C(C)C
InChIInChI=1S/C15H23NOS/c1-10(2)18(17)14-9-11(3)12-7-5-6-8-13(12)15(14)16-4/h5-8,10-11,14-16H,9H2,1-4H3
InChIKeyHXXYNBZLOWUNLE-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420335) is N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2C(C)CC1S(=O)C(C)C.
What is the InChIKey of N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HXXYNBZLOWUNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10(2)18(17)14-9-11(3)12-7-5-6-8-13(12)15(14)16-4/h5-8,10-11,14-16H,9H2,1-4H3.
What are the key properties of N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 265.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).