N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline

C16H26N2O2S — CID 65045983

IUPACN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-4-18(14-8-5-7-13(2)11-14)16(12-17)10-6-9-15(16)21(3,19)20/h5,7-8,11,15H,4,6,9-10,12,17H2,1-3H3
InChIKeyQHDJHKLEKUHFSR-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline

N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline (PubChem CID 65045983) 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-3-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
PubChem CID65045983
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-4-18(14-8-5-7-13(2)11-14)16(12-17)10-6-9-15(16)21(3,19)20/h5,7-8,11,15H,4,6,9-10,12,17H2,1-3H3
InChIKeyQHDJHKLEKUHFSR-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

Analyze N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
CID 65044946
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
CID 63470782
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline
CID 64762927
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
3-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,1-dioxothian-3-amine
CID 63924429
2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine
CID 61076565
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 79564155
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
CID 107449072

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline (CID 65045983) is N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline is CCN(c1cccc(C)c1)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline?
The InChIKey is QHDJHKLEKUHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18(14-8-5-7-13(2)11-14)16(12-17)10-6-9-15(16)21(3,19)20/h5,7-8,11,15H,4,6,9-10,12,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline?
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-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-3-methylaniline is sourced from PubChem (CID 65045983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).