1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine

C16H26N2O2S — CID 65046188

IUPAC1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1ccccc1CN(C)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-13-7-4-5-8-14(13)11-18(2)16(12-17)10-6-9-15(16)21(3,19)20/h4-5,7-8,15H,6,9-12,17H2,1-3H3
InChIKeyVCNABSQESOLVAQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.72
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine

1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046188) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046188
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1ccccc1CN(C)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-13-7-4-5-8-14(13)11-18(2)16(12-17)10-6-9-15(16)21(3,19)20/h4-5,7-8,15H,6,9-12,17H2,1-3H3
InChIKeyVCNABSQESOLVAQ-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 65046188) is 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine is Cc1ccccc1CN(C)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is VCNABSQESOLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-7-4-5-8-14(13)11-18(2)16(12-17)10-6-9-15(16)21(3,19)20/h4-5,7-8,15H,6,9-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 310.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).