2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NOS — CID 64656680

IUPAC2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)CC1CCCC1
InChIInChI=1S/C17H25NOS/c1-18-17-15-9-5-4-8-14(15)10-11-16(17)20(19)12-13-6-2-3-7-13/h4-5,8-9,13,16-18H,2-3,6-7,10-12H2,1H3
InChIKeyPSXWNLOWTOCGOF-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.20
Rot. Bonds4

About 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64656680) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64656680
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)CC1CCCC1
InChIInChI=1S/C17H25NOS/c1-18-17-15-9-5-4-8-14(15)10-11-16(17)20(19)12-13-6-2-3-7-13/h4-5,8-9,13,16-18H,2-3,6-7,10-12H2,1H3
InChIKeyPSXWNLOWTOCGOF-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64656074
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659795
N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64655159

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64656680) is 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1S(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PSXWNLOWTOCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-18-17-15-9-5-4-8-14(15)10-11-16(17)20(19)12-13-6-2-3-7-13/h4-5,8-9,13,16-18H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64656680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).