2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H21NOS — CID 64654603

IUPAC2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2CCC1S(C)=O
InChIInChI=1S/C14H21NOS/c1-3-10-15-14-12-7-5-4-6-11(12)8-9-13(14)17(2)16/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyHMXIUYASZTVVAN-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.42
Rot. Bonds4

About 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64654603) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64654603
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2CCC1S(C)=O
InChIInChI=1S/C14H21NOS/c1-3-10-15-14-12-7-5-4-6-11(12)8-9-13(14)17(2)16/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyHMXIUYASZTVVAN-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64653008
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520
2-(cyclopentylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403595
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659795
2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114272345
2-N-methyl-2-N-(3-methylbutan-2-yl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63469194
2-N-methyl-2-N-(2-methylbutyl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63467737
6-(2-ethylbutyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 82932652
6-hexyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403821

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64654603) is 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1c2ccccc2CCC1S(C)=O.
What is the InChIKey of 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HMXIUYASZTVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-10-15-14-12-7-5-4-6-11(12)8-9-13(14)17(2)16/h4-7,13-15H,3,8-10H2,1-2H3.
What are the key properties of 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64654603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).