2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine

C12H26N2O3S — CID 63878755

IUPAC2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCCS(=O)(=O)N1CCC(CNCCOC)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-10-18(15,16)14-7-4-12(5-8-14)11-13-6-9-17-2/h12-13H,3-11H2,1-2H3
InChIKeyZGZFZDGDXZFSCX-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.67
Rot. Bonds8

About 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine

2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine (PubChem CID 63878755) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
PubChem CID63878755
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCCS(=O)(=O)N1CCC(CNCCOC)CC1
InChIInChI=1S/C12H26N2O3S/c1-3-10-18(15,16)14-7-4-12(5-8-14)11-13-6-9-17-2/h12-13H,3-11H2,1-2H3
InChIKeyZGZFZDGDXZFSCX-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
CID 62591708
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
methyl 4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoate
CID 80552640
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine (CID 63878755) is 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine is CCCS(=O)(=O)N1CCC(CNCCOC)CC1.
What is the InChIKey of 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is ZGZFZDGDXZFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-10-18(15,16)14-7-4-12(5-8-14)11-13-6-9-17-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine?
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 63878755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).