N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NOS — CID 107758741

IUPACN-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCS(=O)C1CCc2ccccc2C1NC
InChIInChI=1S/C16H25NOS/c1-3-4-7-12-19(18)15-11-10-13-8-5-6-9-14(13)16(15)17-2/h5-6,8-9,15-17H,3-4,7,10-12H2,1-2H3
InChIKeySIVRZRPNWJMAIW-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107758741) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107758741
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCS(=O)C1CCc2ccccc2C1NC
InChIInChI=1S/C16H25NOS/c1-3-4-7-12-19(18)15-11-10-13-8-5-6-9-14(13)16(15)17-2/h5-6,8-9,15-17H,3-4,7,10-12H2,1-2H3
InChIKeySIVRZRPNWJMAIW-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659795
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64656074
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107758741) is N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCS(=O)C1CCc2ccccc2C1NC.
What is the InChIKey of N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SIVRZRPNWJMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-4-7-12-19(18)15-11-10-13-8-5-6-9-14(13)16(15)17-2/h5-6,8-9,15-17H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107758741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).