N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine

C13H20N2O3S — CID 79783246

IUPACN-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)8-2-7-18-13-6-5-12(15-10-13)9-14-11-3-4-11/h5-6,10-11,14H,2-4,7-9H2,1H3
InChIKeyFBFBKFLQHWNYFY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds8

About N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79783246) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79783246
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)8-2-7-18-13-6-5-12(15-10-13)9-14-11-3-4-11/h5-6,10-11,14H,2-4,7-9H2,1H3
InChIKeyFBFBKFLQHWNYFY-UHFFFAOYSA-N
XLogP1.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
CID 79799571
3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
CID 79781169
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
CID 79781914
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
CID 82898570
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 79783246) is N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine is CS(=O)(=O)CCCOc1ccc(CNC2CC2)nc1.
What is the InChIKey of N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is FBFBKFLQHWNYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(16,17)8-2-7-18-13-6-5-12(15-10-13)9-14-11-3-4-11/h5-6,10-11,14H,2-4,7-9H2,1H3.
What are the key properties of N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 284.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79783246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).