1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide

C16H26N2O2S — CID 61446862

IUPAC1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C16H26N2O2S/c1-13-6-5-9-16(10-13)18(2)21(19,20)12-15-8-4-3-7-14(15)11-17/h3-4,7-8,13,16H,5-6,9-12,17H2,1-2H3
InChIKeyOTQZUAZSDWOLQL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide (PubChem CID 61446862) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
PubChem CID61446862
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C16H26N2O2S/c1-13-6-5-9-16(10-13)18(2)21(19,20)12-15-8-4-3-7-14(15)11-17/h3-4,7-8,13,16H,5-6,9-12,17H2,1-2H3
InChIKeyOTQZUAZSDWOLQL-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide (CID 61446862) is 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide is CC1CCCC(N(C)S(=O)(=O)Cc2ccccc2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The InChIKey is OTQZUAZSDWOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-6-5-9-16(10-13)18(2)21(19,20)12-15-8-4-3-7-14(15)11-17/h3-4,7-8,13,16H,5-6,9-12,17H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 61446862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).