1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride

C17H29ClN2O4S — CID 119965481

IUPAC1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-3-22-12-13-23-15-7-9-16(10-8-15)24(20,21)19-11-5-4-6-17(19)14(2)18;/h7-10,14,17H,3-6,11-13,18H2,1-2H3;1H
InChIKeyBIQSYMVCXNTNDV-UHFFFAOYSA-N
MW392.95 g/mol
LogP2.41
Rot. Bonds8

About 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride

1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119965481) has the molecular formula C17H29ClN2O4S and a molecular weight of 392.95 g/mol. Its IUPAC name is 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
PubChem CID119965481
Molecular FormulaC17H29ClN2O4S
Molecular Weight392.95 g/mol
Exact Mass392.15
IUPAC Name1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-3-22-12-13-23-15-7-9-16(10-8-15)24(20,21)19-11-5-4-6-17(19)14(2)18;/h7-10,14,17H,3-6,11-13,18H2,1-2H3;1H
InChIKeyBIQSYMVCXNTNDV-UHFFFAOYSA-N
XLogP2.41
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 52.41
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-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 119965482
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984624
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131
(1S)-1-[(2S)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 124691051
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119965410
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 119965411

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride (CID 119965481) is 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride is CCOCCOc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1.Cl.
What is the InChIKey of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is BIQSYMVCXNTNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S.ClH/c1-3-22-12-13-23-15-7-9-16(10-8-15)24(20,21)19-11-5-4-6-17(19)14(2)18;/h7-10,14,17H,3-6,11-13,18H2,1-2H3;1H.
What are the key properties of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119965481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).