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

C16H26N2O4S — CID 119980269

IUPAC1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCC(NC)CC2)cc1
InChIInChI=1S/C16H26N2O4S/c1-3-21-12-13-22-15-4-6-16(7-5-15)23(19,20)18-10-8-14(17-2)9-11-18/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyCSBBQVUBHQZCDE-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.47
Rot. Bonds8

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

1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119980269) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
PubChem CID119980269
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCC(NC)CC2)cc1
InChIInChI=1S/C16H26N2O4S/c1-3-21-12-13-22-15-4-6-16(7-5-15)23(19,20)18-10-8-14(17-2)9-11-18/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyCSBBQVUBHQZCDE-UHFFFAOYSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.47
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

(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963555
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984624
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987701
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine (CID 119980269) is 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine is CCOCCOc1ccc(S(=O)(=O)N2CCC(NC)CC2)cc1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is CSBBQVUBHQZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-3-21-12-13-22-15-4-6-16(7-5-15)23(19,20)18-10-8-14(17-2)9-11-18/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine?
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 342.46 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119980269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).