4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine

C15H23NOS — CID 81194465

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine
SMILESCC(N)CCS(=O)CC1CCCc2ccccc21
InChIInChI=1S/C15H23NOS/c1-12(16)9-10-18(17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,12,14H,4,6-7,9-11,16H2,1H3
InChIKeyIXURDQDMDITEHZ-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.59
Rot. Bonds5

About 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine (PubChem CID 81194465) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine
PubChem CID81194465
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine
SMILESCC(N)CCS(=O)CC1CCCc2ccccc21
InChIInChI=1S/C15H23NOS/c1-12(16)9-10-18(17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,12,14H,4,6-7,9-11,16H2,1H3
InChIKeyIXURDQDMDITEHZ-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine
CID 81188957
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propanoic acid
CID 63771127
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
CID 64663678
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
[3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105222806

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine (CID 81194465) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine is CC(N)CCS(=O)CC1CCCc2ccccc21.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine?
The InChIKey is IXURDQDMDITEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(16)9-10-18(17)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,12,14H,4,6-7,9-11,16H2,1H3.
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine?
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine is sourced from PubChem (CID 81194465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).