(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol

C11H15NO3S — CID 10911682

IUPAC(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
SMILESN[C@@H]1[C@H](O)CC[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c12-11-9(13)6-7-10(11)16(14,15)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7,12H2/t9-,10-,11-/m1/s1
InChIKeyJXYYXAYHKDJRPL-GMTAPVOTSA-N
MW241.31 g/mol
LogP0.31
Rot. Bonds2

About (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol

(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol (PubChem CID 10911682) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
PubChem CID10911682
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
SMILESN[C@@H]1[C@H](O)CC[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c12-11-9(13)6-7-10(11)16(14,15)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7,12H2/t9-,10-,11-/m1/s1
InChIKeyJXYYXAYHKDJRPL-GMTAPVOTSA-N
XLogP0.31
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol (CID 10911682) is (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol is N[C@@H]1[C@H](O)CC[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol?
The InChIKey is JXYYXAYHKDJRPL-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H15NO3S/c12-11-9(13)6-7-10(11)16(14,15)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7,12H2/t9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol?
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol is sourced from PubChem (CID 10911682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).