N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine

C15H23NOS — CID 64655368

IUPACN-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
SMILESCNC1CCCCCC1S(=O)c1ccccc1C
InChIInChI=1S/C15H23NOS/c1-12-8-6-7-10-14(12)18(17)15-11-5-3-4-9-13(15)16-2/h6-8,10,13,15-16H,3-5,9,11H2,1-2H3
InChIKeyHSQJRYBGQWCFJV-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.02
Rot. Bonds3

About N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine

N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine (PubChem CID 64655368) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
PubChem CID64655368
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
SMILESCNC1CCCCCC1S(=O)c1ccccc1C
InChIInChI=1S/C15H23NOS/c1-12-8-6-7-10-14(12)18(17)15-11-5-3-4-9-13(15)16-2/h6-8,10,13,15-16H,3-5,9,11H2,1-2H3
InChIKeyHSQJRYBGQWCFJV-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64658723
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-methylcycloheptan-1-amine
CID 115479179
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylcyclohexan-1-amine
CID 115478131
2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658120

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
The IUPAC name of N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine (CID 64655368) is N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine is CNC1CCCCCC1S(=O)c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
The InChIKey is HSQJRYBGQWCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-8-6-7-10-14(12)18(17)15-11-5-3-4-9-13(15)16-2/h6-8,10,13,15-16H,3-5,9,11H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine?
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine is sourced from PubChem (CID 64655368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).