N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine

C15H24N2O3S — CID 79158766

IUPACN-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCCOc1ccc(C)nc1CNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-3-21(18,19)10-4-9-20-15-8-5-12(2)17-14(15)11-16-13-6-7-13/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3
InChIKeyBTGLPEGUDUYNMN-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.85
Rot. Bonds9

About N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine

N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79158766) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79158766
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCCOc1ccc(C)nc1CNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-3-21(18,19)10-4-9-20-15-8-5-12(2)17-14(15)11-16-13-6-7-13/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3
InChIKeyBTGLPEGUDUYNMN-UHFFFAOYSA-N
XLogP1.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.85
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

6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
CID 79158444
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79156387
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156979
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158289
propan-2-yl 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]acetate
CID 79157755
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine (CID 79158766) is N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine is CCS(=O)(=O)CCCOc1ccc(C)nc1CNC1CC1.
What is the InChIKey of N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is BTGLPEGUDUYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-21(18,19)10-4-9-20-15-8-5-12(2)17-14(15)11-16-13-6-7-13/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 312.43 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79158766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).