6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H27NOS — CID 64656074

IUPAC6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1S(=O)CC1CCCC1
InChIInChI=1S/C18H27NOS/c1-19-18-16-11-5-4-9-15(16)10-6-12-17(18)21(20)13-14-7-2-3-8-14/h4-5,9,11,14,17-19H,2-3,6-8,10,12-13H2,1H3
InChIKeyIKBYOORAXMUJNT-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.59
Rot. Bonds4

About 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 64656074) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID64656074
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1S(=O)CC1CCCC1
InChIInChI=1S/C18H27NOS/c1-19-18-16-11-5-4-9-15(16)10-6-12-17(18)21(20)13-14-7-2-3-8-14/h4-5,9,11,14,17-19H,2-3,6-8,10,12-13H2,1H3
InChIKeyIKBYOORAXMUJNT-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propan-2-amine
CID 81188957
N-methyl-6-(2-propylsulfonylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106727212

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 64656074) is 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1c2ccccc2CCCC1S(=O)CC1CCCC1.
What is the InChIKey of 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IKBYOORAXMUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-19-18-16-11-5-4-9-15(16)10-6-12-17(18)21(20)13-14-7-2-3-8-14/h4-5,9,11,14,17-19H,2-3,6-8,10,12-13H2,1H3.
What are the key properties of 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 305.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 64656074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).