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

C14H21NOS — CID 81188957

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)CC1CCCc2ccccc21
InChIInChI=1S/C14H21NOS/c1-11(15)9-17(16)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,11,13H,4,6-7,9-10,15H2,1H3
InChIKeyIONWJNHJGSLSQT-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.20
Rot. Bonds4

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

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine (PubChem CID 81188957) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine
PubChem CID81188957
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)CC1CCCc2ccccc21
InChIInChI=1S/C14H21NOS/c1-11(15)9-17(16)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,11,13H,4,6-7,9-10,15H2,1H3
InChIKeyIONWJNHJGSLSQT-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)butan-2-amine
CID 81194465
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propanoic acid
CID 63771127
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)butan-2-amine
CID 66233726
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfinyl)-2-methylpropan-1-amine
CID 81202272
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
[(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
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanal
CID 64663678
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine (CID 81188957) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine is CC(N)CS(=O)CC1CCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine?
The InChIKey is IONWJNHJGSLSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15)9-17(16)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,11,13H,4,6-7,9-10,15H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine is sourced from PubChem (CID 81188957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).