(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol

C15H24N2O3S — CID 107407173

IUPAC(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N2CCC[C@H](O)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-11-8-14(16)13(4-2)15(9-11)21(19,20)17-7-5-6-12(18)10-17/h8-9,12,18H,3-7,10,16H2,1-2H3/t12-/m0/s1
InChIKeyLFEQACIEFOGQMT-LBPRGKRZSA-N
MW312.44 g/mol
LogP1.54
Rot. Bonds4

About (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol

(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol (PubChem CID 107407173) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol
PubChem CID107407173
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N2CCC[C@H](O)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-11-8-14(16)13(4-2)15(9-11)21(19,20)17-7-5-6-12(18)10-17/h8-9,12,18H,3-7,10,16H2,1-2H3/t12-/m0/s1
InChIKeyLFEQACIEFOGQMT-LBPRGKRZSA-N
XLogP1.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-2,5-diethylphenyl)sulfonylpyrrolidin-3-ol
CID 107406571
(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
CID 166824771
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128
2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 107406883
3-amino-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 81470671
3-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-diethylaniline
CID 107407046
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol (CID 107407173) is (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol is CCc1cc(N)c(CC)c(S(=O)(=O)N2CCC[C@H](O)C2)c1.
What is the InChIKey of (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is LFEQACIEFOGQMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-8-14(16)13(4-2)15(9-11)21(19,20)17-7-5-6-12(18)10-17/h8-9,12,18H,3-7,10,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol?
(3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 312.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-amino-2,5-diethylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 107407173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).