1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide

C16H26N2O2S — CID 61437561

IUPAC1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)Cc2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-13-6-8-16(9-7-13)18(2)21(19,20)12-15-5-3-4-14(10-15)11-17/h3-5,10,13,16H,6-9,11-12,17H2,1-2H3
InChIKeyZFPHEBDQFRIEJS-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide (PubChem CID 61437561) 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-(4-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
PubChem CID61437561
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)Cc2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-13-6-8-16(9-7-13)18(2)21(19,20)12-15-5-3-4-14(10-15)11-17/h3-5,10,13,16H,6-9,11-12,17H2,1-2H3
InChIKeyZFPHEBDQFRIEJS-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-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79179448
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62332486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide (CID 61437561) is 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide is CC1CCC(N(C)S(=O)(=O)Cc2cccc(CN)c2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide?
The InChIKey is ZFPHEBDQFRIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-6-8-16(9-7-13)18(2)21(19,20)12-15-5-3-4-14(10-15)11-17/h3-5,10,13,16H,6-9,11-12,17H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-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-(4-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 61437561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).