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

C13H28N2O2S — CID 79856110

IUPACN,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
SMILESCNC1C(CN(C)CCS(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C13H28N2O2S/c1-13(2)7-6-11(12(13)14-3)10-15(4)8-9-18(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyMFBMOTJFWOVXBL-UHFFFAOYSA-N
MW276.45 g/mol
LogP0.99
Rot. Bonds6

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

N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 79856110) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
PubChem CID79856110
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
SMILESCNC1C(CN(C)CCS(C)(=O)=O)CCC1(C)C
InChIInChI=1S/C13H28N2O2S/c1-13(2)7-6-11(12(13)14-3)10-15(4)8-9-18(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyMFBMOTJFWOVXBL-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
5-[[2-ethoxyethyl(methyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 81074491
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79858666
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039
2-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl-methylamino]ethanol
CID 79853440
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79856035
2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79859494
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866448
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757
2-[cyclopropyl-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]amino]ethanol
CID 79855562
2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554577

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine (CID 79856110) is N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine is CNC1C(CN(C)CCS(C)(=O)=O)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is MFBMOTJFWOVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-13(2)7-6-11(12(13)14-3)10-15(4)8-9-18(5,16)17/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine?
N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 79856110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).