N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine

C13H20N2O3S — CID 65046504

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2S(C)(=O)=O)cn1
InChIInChI=1S/C13H20N2O3S/c1-18-13-7-6-10(9-15-13)8-14-11-4-3-5-12(11)19(2,16)17/h6-7,9,11-12,14H,3-5,8H2,1-2H3
InChIKeyDQQLHKNDBKWKGL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046504) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046504
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2S(C)(=O)=O)cn1
InChIInChI=1S/C13H20N2O3S/c1-18-13-7-6-10(9-15-13)8-14-11-4-3-5-12(11)19(2,16)17/h6-7,9,11-12,14H,3-5,8H2,1-2H3
InChIKeyDQQLHKNDBKWKGL-UHFFFAOYSA-N
XLogP1.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363784
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471734
trans-(1R,2R)-N-[(4-ethoxy-3-methylphenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 97334058
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 113350821
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879
[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128996710
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62989771

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine (CID 65046504) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine is COc1ccc(CNC2CCCC2S(C)(=O)=O)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is DQQLHKNDBKWKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-13-7-6-10(9-15-13)8-14-11-4-3-5-12(11)19(2,16)17/h6-7,9,11-12,14H,3-5,8H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).