N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide

C16H26N2O2S — CID 62008026

IUPACN-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-18(16(14-17)11-7-2-3-8-12-16)21(19,20)13-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14,17H2,1H3
InChIKeyWCPAFMZTCMBCKQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide (PubChem CID 62008026) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide
PubChem CID62008026
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-18(16(14-17)11-7-2-3-8-12-16)21(19,20)13-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14,17H2,1H3
InChIKeyWCPAFMZTCMBCKQ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-methylsulfonylmethanesulfonamide
CID 82838664
1-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclopentan-1-amine
CID 62009826
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
CID 62007612
N-[1-(aminomethyl)cyclopentyl]-N-methylbutane-1-sulfonamide
CID 62008822
N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
CID 62008627
N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
CID 167982152
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)cyclobutan-1-amine
CID 79521880
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
1-(aminomethyl)-1-[methyl(methylsulfamoyl)amino]cyclopentane
CID 114803856
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide (CID 62008026) is N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide is CN(C1(CN)CCCCCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is WCPAFMZTCMBCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-18(16(14-17)11-7-2-3-8-12-16)21(19,20)13-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 62008026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).