2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine

C12H26N2O2S — CID 79855043

IUPAC2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
SMILESCN(CCS(C)(=O)=O)CC1CCC(C)(C)C1N
InChIInChI=1S/C12H26N2O2S/c1-12(2)6-5-10(11(12)13)9-14(3)7-8-17(4,15)16/h10-11H,5-9,13H2,1-4H3
InChIKeyLPSHMRTUGVTBNM-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.73
Rot. Bonds5

About 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine

2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 79855043) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
PubChem CID79855043
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
SMILESCN(CCS(C)(=O)=O)CC1CCC(C)(C)C1N
InChIInChI=1S/C12H26N2O2S/c1-12(2)6-5-10(11(12)13)9-14(3)7-8-17(4,15)16/h10-11H,5-9,13H2,1-4H3
InChIKeyLPSHMRTUGVTBNM-UHFFFAOYSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79856110
2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79859494
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261
2,2-dimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855111
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 79855632
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79858666
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
6-[[cyclobutylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849427
5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855868

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine (CID 79855043) is 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine is CN(CCS(C)(=O)=O)CC1CCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is LPSHMRTUGVTBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2)6-5-10(11(12)13)9-14(3)7-8-17(4,15)16/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 79855043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).