2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine

C14H24N2O3S2 — CID 63879120

IUPAC2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C14H24N2O3S2/c1-12-5-6-14(20-12)21(17,18)16-8-3-4-13(11-16)10-15-7-9-19-2/h5-6,13,15H,3-4,7-11H2,1-2H3
InChIKeyMDZAIJWLUWQCOH-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.69
Rot. Bonds7

About 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine (PubChem CID 63879120) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
PubChem CID63879120
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C14H24N2O3S2/c1-12-5-6-14(20-12)21(17,18)16-8-3-4-13(11-16)10-15-7-9-19-2/h5-6,13,15H,3-4,7-11H2,1-2H3
InChIKeyMDZAIJWLUWQCOH-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.69
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

[4-(methylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119546707
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 110410538
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
N-(2-methoxyethyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-pentan-3-ylpiperidine-3-carboxamide
CID 55663936
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55717146
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880331

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine (CID 63879120) is 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The InChIKey is MDZAIJWLUWQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-12-5-6-14(20-12)21(17,18)16-8-3-4-13(11-16)10-15-7-9-19-2/h5-6,13,15H,3-4,7-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine has a molecular weight of 332.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63879120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).