1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine

C17H27N3O4S — CID 110157514

IUPAC1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine
SMILESCN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1
InChIInChI=1S/C17H27N3O4S/c1-19(2)25(22,23)18-14-12-15(24-13-8-4-3-5-9-13)17(21)16(14)20-10-6-7-11-20/h3-5,8-9,14-18,21H,6-7,10-12H2,1-2H3/t14-,15-,16+,17+/m1/s1
InChIKeyMRHFXHXATSJXCQ-NCOADZHNSA-N
MW369.49 g/mol
LogP0.43
Rot. Bonds6

About 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine

1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine (PubChem CID 110157514) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine
PubChem CID110157514
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine
SMILESCN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1
InChIInChI=1S/C17H27N3O4S/c1-19(2)25(22,23)18-14-12-15(24-13-8-4-3-5-9-13)17(21)16(14)20-10-6-7-11-20/h3-5,8-9,14-18,21H,6-7,10-12H2,1-2H3/t14-,15-,16+,17+/m1/s1
InChIKeyMRHFXHXATSJXCQ-NCOADZHNSA-N
XLogP0.43
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine?
The IUPAC name of 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine (CID 110157514) is 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine.
What is the SMILES notation for 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine?
The canonical SMILES for 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine is CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1.
What is the InChIKey of 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine?
The InChIKey is MRHFXHXATSJXCQ-NCOADZHNSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-19(2)25(22,23)18-14-12-15(24-13-8-4-3-5-9-13)17(21)16(14)20-10-6-7-11-20/h3-5,8-9,14-18,21H,6-7,10-12H2,1-2H3/t14-,15-,16+,17+/m1/s1.
What are the key properties of 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine?
1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine has a molecular weight of 369.49 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3R,5R)-5-(dimethylsulfamoylamino)-2-hydroxy-3-phenoxycyclopentyl]pyrrolidine is sourced from PubChem (CID 110157514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).