N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline

C16H26N2O2S — CID 65044946

IUPACN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
SMILESCCN(c1ccc(C)cc1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-4-18(14-9-7-13(2)8-10-14)16(12-17)11-5-6-15(16)21(3,19)20/h7-10,15H,4-6,11-12,17H2,1-3H3
InChIKeyUZJQSKSYFHSSEQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline

N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline (PubChem CID 65044946) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
PubChem CID65044946
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
SMILESCCN(c1ccc(C)cc1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-4-18(14-9-7-13(2)8-10-14)16(12-17)11-5-6-15(16)21(3,19)20/h7-10,15H,4-6,11-12,17H2,1-3H3
InChIKeyUZJQSKSYFHSSEQ-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline (CID 65044946) is N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline is CCN(c1ccc(C)cc1)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline?
The InChIKey is UZJQSKSYFHSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18(14-9-7-13(2)8-10-14)16(12-17)11-5-6-15(16)21(3,19)20/h7-10,15H,4-6,11-12,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline?
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline has a molecular weight of 310.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 65044946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).