1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine

C15H24N2O4S — CID 120715200

IUPAC1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCCOC)cc2)C1
InChIInChI=1S/C15H24N2O4S/c1-16-13-4-3-9-17(12-13)22(18,19)15-7-5-14(6-8-15)21-11-10-20-2/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyMTUVPPQUHRGGLX-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.08
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine

1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120715200) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
PubChem CID120715200
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCCOC)cc2)C1
InChIInChI=1S/C15H24N2O4S/c1-16-13-4-3-9-17(12-13)22(18,19)15-7-5-14(6-8-15)21-11-10-20-2/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyMTUVPPQUHRGGLX-UHFFFAOYSA-N
XLogP1.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.08
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

1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
methyl 4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate
CID 110799109
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine (CID 120715200) is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(OCCOC)cc2)C1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is MTUVPPQUHRGGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-16-13-4-3-9-17(12-13)22(18,19)15-7-5-14(6-8-15)21-11-10-20-2/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine?
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 328.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).