1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine

C16H26N2O3S — CID 119959192

IUPAC1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
SMILESCCCCCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-2-3-4-13-21-15-5-7-16(8-6-15)22(19,20)18-11-9-14(17)10-12-18/h5-8,14H,2-4,9-13,17H2,1H3
InChIKeyLOYMHYFBKDKMPH-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.37
Rot. Bonds7

About 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine

1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine (PubChem CID 119959192) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
PubChem CID119959192
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
SMILESCCCCCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-2-3-4-13-21-15-5-7-16(8-6-15)22(19,20)18-11-9-14(17)10-12-18/h5-8,14H,2-4,9-13,17H2,1H3
InChIKeyLOYMHYFBKDKMPH-UHFFFAOYSA-N
XLogP2.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.37
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

1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987701
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 54039969
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3805662
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
1-(4-pentoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963409
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine (CID 119959192) is 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine is CCCCCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine?
The InChIKey is LOYMHYFBKDKMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-2-3-4-13-21-15-5-7-16(8-6-15)22(19,20)18-11-9-14(17)10-12-18/h5-8,14H,2-4,9-13,17H2,1H3.
What are the key properties of 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine?
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine has a molecular weight of 326.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 119959192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).