1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide

C15H24N2O2S — CID 43541147

IUPAC1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-2-17(15-9-5-6-10-15)20(18,19)12-14-8-4-3-7-13(14)11-16/h3-4,7-8,15H,2,5-6,9-12,16H2,1H3
InChIKeyJQCNWZHCCLQAHE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide

1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide (PubChem CID 43541147) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
PubChem CID43541147
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-2-17(15-9-5-6-10-15)20(18,19)12-14-8-4-3-7-13(14)11-16/h3-4,7-8,15H,2,5-6,9-12,16H2,1H3
InChIKeyJQCNWZHCCLQAHE-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 63637982
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 61435991
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide (CID 43541147) is 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide is CCN(C1CCCC1)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide?
The InChIKey is JQCNWZHCCLQAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-17(15-9-5-6-10-15)20(18,19)12-14-8-4-3-7-13(14)11-16/h3-4,7-8,15H,2,5-6,9-12,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-cyclopentyl-N-ethylmethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.24, 6 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-cyclopentyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 43541147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).