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

C16H26N2O2S — CID 61446893

IUPAC1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)Cc2cccc(CN)c2)C1
InChIInChI=1S/C16H26N2O2S/c1-13-5-3-8-16(9-13)18(2)21(19,20)12-15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,11-12,17H2,1-2H3
InChIKeyADEKWCUKLUKCEL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.49
Rot. Bonds5

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

1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide (PubChem CID 61446893) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
PubChem CID61446893
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)Cc2cccc(CN)c2)C1
InChIInChI=1S/C16H26N2O2S/c1-13-5-3-8-16(9-13)18(2)21(19,20)12-15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,11-12,17H2,1-2H3
InChIKeyADEKWCUKLUKCEL-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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Related Compounds

1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62332486
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
2-amino-N-methyl-N-(3-methylcyclohexyl)ethanesulfonamide
CID 61446864
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide (CID 61446893) is 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide is CC1CCCC(N(C)S(=O)(=O)Cc2cccc(CN)c2)C1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
The InChIKey is ADEKWCUKLUKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-5-3-8-16(9-13)18(2)21(19,20)12-15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,11-12,17H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide?
1-[3-(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-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 61446893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).